file
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a
float64
siga
float64
b
float64
sigb
float64
c
float64
sigc
float64
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float64
sigalpha
float64
beta
float64
sigbeta
float64
gamma
float64
siggamma
float64
vol
float64
sigvol
float64
celltemp
float64
sigcelltemp
float64
diffrtemp
float64
sigdiffrtemp
float64
cellpressure
float64
sigcellpressure
float64
diffrpressure
float64
sigdiffrpressure
float64
thermalhist
string
pressurehist
string
compoundsource
string
nel
string
sg
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sgHall
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sgNumber
int64
commonname
string
chemname
string
mineral
string
formula
string
calcformula
string
cellformula
string
Z
int64
Zprime
float64
acce_code
string
authors
string
title
string
journal
string
year
int64
volume
int64
issue
string
firstpage
string
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string
doi
string
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string
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string
wavelength
float64
radType
string
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string
Rall
float64
Robs
float64
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float64
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float64
wRobs
float64
wRref
float64
RFsqd
float64
RI
float64
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float64
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float64
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float64
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int64
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1,001,811
15.211
0.002
8.9093
0.0008
9.362
0.001
90
null
115.99
0.01
90
null
1,140.4
null
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Trisodium tecto-dimolybdo(V)triphosphate(V)
- Mo2 Na3 O14 P3 -
- Mo2 Na3.04 O14 P3 -
- Mo8 Na12.16 O56 P12 -
4
0.5
Ledain, S; Leclaire, A; Borel, M M; Raveau, B
A sodium molybdenyl monophosphate with an intersecting tunnel structure: Na3 (Mo O)2 (P O4)3
Journal of Solid State Chemistry
1,997
132
249
256
10.1006/jssc.1997.7416
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ledain, S; Leclaire, A; Borel, M M; Raveau, B A sodium molybdenyl monophosphate with an intersecting tunnel structure: Na3 (Mo O)2 (P O4)3 Journal of Solid State Chemistry 132 (1997) 249-256
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001811.cif $ #-------------------------------------------------------------------...
7,052,613
5.6008
0.0005
13.9738
0.0013
20.9424
0.0019
93.765
0.002
96.678
0.002
94.342
0.002
1,618.7
0.3
170
2
170
2
null
null
null
null
5
P -1
-P 1
2
- C60 H79 N5 O20 Zn4 -
- C60 H75 N5 O20 Zn4 -
- C60 H75 N5 O20 Zn4 -
1
0.5
Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee
Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands
New Journal of Chemistry
2,011
35
4
833
10.1039/c0nj00869a
0.71073
MoKα
0.0631
0.0461
null
null
0.1357
0.1398
null
null
null
null
null
0.966
null
null
has coordinates
Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridy...
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052613.cif $ #-------------------------------------------------------------------...
1,001,812
3.8445
0.0001
3.8445
0.0001
30.09799
0.001
90
null
90
null
90
null
444.9
null
null
null
null
null
null
null
null
null
6
I 4/m m m
-I 4 2
139
Thallium mercury strontium barium iron oxide (1.4/0.47/2/1/2/8.75)
- Ba Fe2 Hg0.467 O8.75 Sr2 Tl1.402 -
- Ba Fe2 Hg0.468 O8.752 Sr2 Tl1.402 -
- Ba2 Fe4 Hg0.936 O17.504 Sr4 Tl2.804 -
2
0.0625
Nguyen, N; Groult, D; Boullay, P; Michel, C; Raveau, B
New mixed valent ferrites (Tl1.5 Hg0.5) Sr3-x Bax Fe2 O9-d (0<x<2) with the Tl-2212-type structure
Journal of Solid State Chemistry
1,997
132
308
314
10.1006/jssc.1997.7464
null
0.073
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nguyen, N; Groult, D; Boullay, P; Michel, C; Raveau, B New mixed valent ferrites (Tl1.5 Hg0.5) Sr3-x Bax Fe2 O9-d (0<x<2) with the Tl-2212-type structure Journal of Solid State Chemistry 132 (1997) 308-314
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001812.cif $ #-------------------------------------------------------------------...
1,001,813
22.181
0.002
11.564
0.001
9.548
0.001
90
null
90
null
90
null
2,449.1
null
null
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
61
Dipotassium tecto-divanado(IV)tetraphosphate(V)
- K2 O15 P4 V2 -
- K2 O15 P4 V2 -
- K16 O120 P32 V16 -
8
1
Borel, M M; Leclaire, A; Chardon, J; Provost, J; Rebbah, H; Raveau, B
A V(IV) tetraphosphate with a tunnel structure K2 (V O)2 P4 O13
Journal of Solid State Chemistry
1,997
132
41
46
10.1006/jssc.1997.7404
null
0.043
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Borel, M M; Leclaire, A; Chardon, J; Provost, J; Rebbah, H; Raveau, B A V(IV) tetraphosphate with a tunnel structure K2 (V O)2 P4 O13 Journal of Solid State Chemistry 132 (1997) 41-46
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001813.cif $ #-------------------------------------------------------------------...
1,001,814
5.3594
0.0001
5.3443
0.0001
30.976
0.004
90
null
90
null
90
null
887.2
null
null
null
null
null
null
null
null
null
6
A b m m
-A 2b 2b
67
Bismuth lead strontium calcium manganese oxide (1.5/0.5/1.53/1.47/2/9)
- Bi1.5 Ca1.47 Mn2 O9 Pb0.5 Sr1.53 -
- Bi1.5 Ca1.47 Mn2 O9 Pb0.5 Sr1.53 -
- Bi6 Ca5.88 Mn8 O36 Pb2 Sr6.12 -
4
0.25
Hervieu, M; Michel, C; Pelloquin, D; Maignan, A; Raveau, B
A bismuth manganite with the "2212" structure: Bi2-x Pbx Sr1.5 Ca1.5 Mn2 O9-d
Journal of Solid State Chemistry
1,997
132
420
431
10.1006/jssc.1997.7484
null
0.12
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hervieu, M; Michel, C; Pelloquin, D; Maignan, A; Raveau, B A bismuth manganite with the "2212" structure: Bi2-x Pbx Sr1.5 Ca1.5 Mn2 O9-d Journal of Solid State Chemistry 132 (1997) 420-431
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001814.cif $ #-------------------------------------------------------------------...
1,001,815
11.946
0.002
12.716
0.002
8.274
0.001
90.26
0.01
96.87
0.01
89.67
0.01
1,247.8
null
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
Trilithium tecto-pentaoxotris(phosphato(V))trimolybdate
- Li3 Mo3 O17 P3 -
- Li3 Mo3 O17 P3 -
- Li12 Mo12 O68 P12 -
4
2
Ledain, S; Leclaire, A; Borel, M M; Provost, J; Raveau, B
A mixed valent molybdenum monophosphate with a bidimensional connection of Mo O6 octahedra : Li3 Mo3 O5 (P O4)3
Journal of Solid State Chemistry
1,997
133
391
399
10.1006/jssc.1997.7482
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ledain, S; Leclaire, A; Borel, M M; Provost, J; Raveau, B A mixed valent molybdenum monophosphate with a bidimensional connection of Mo O6 octahedra : Li3 Mo3 O5 (P O4)3 Journal of Solid State Chemistry 133 (1997) 391-399
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001815.cif $ #-------------------------------------------------------------------...
1,001,816
10.4
null
10.4
null
10.4
null
90
null
90
null
90
null
1,124.9
null
null
null
null
null
null
null
null
null
synthetic
3
F d -3 m :1
F 4d 2 3 -1d
227
Lead diantimonate
Bindheimite
- O7 Pb2 Sb2 -
- O7 Pb2 Sb2 -
- O56 Pb16 Sb16 -
8
0.041667
Gasperin, M
Synthese et identification de deux oxydes doubles de tantale et d'etain.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,955
240
2340
2342
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M Synthese et identification de deux oxydes doubles de tantale et d'etain. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 240 (1955) 2340-2342
282,068
2023-03-26
10:11:44
#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001816.cif $ #-------------------------------------------------------------------...
1,001,817
10.607
0.005
10.607
0.005
10.607
0.005
90
null
90
null
90
null
1,193.4
null
null
null
null
null
null
null
null
null
synthetic
4
F d -3 m :2
-F 4vw 2vw 3
227
Barium hydrogen niobium oxide hydrate (0.5/1/2/6/1)
Bariopyrochlore
- Ba0.5 H3 Nb2 O7 -
- Ba0.5 H3 Nb2 O7 -
- Ba4 H24 Nb16 O56 -
8
0.041667
Groult, D; Michel, C; Raveau, B
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
Journal of Inorganic and Nuclear Chemistry
1,975
37
2203
2205
10.1016/0022-1902(75)80857-8
null
0.076
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Michel, C; Raveau, B Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001817.cif $ #-------------------------------------------------------------------...
7,052,612
6.2142
0.0012
9.4307
0.0018
12.213
0.003
81.975
0.003
82.195
0.003
85.397
0.004
700.8
0.3
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C28 H34 N2 O10 Zn2 -
- C28 H34 N2 O10 Zn2 -
- C28 H34 N2 O10 Zn2 -
1
0.5
Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee
Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands
New Journal of Chemistry
2,011
35
4
833
10.1039/c0nj00869a
0.71073
MoKα
0.1155
0.0595
null
null
0.1132
0.1485
null
null
null
null
null
0.952
null
null
has coordinates
Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridy...
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052612.cif $ #-------------------------------------------------------------------...
1,001,818
5.34
0.002
9.524
0.002
10.235
0.003
90
null
100.07
0.02
90
null
512.5
null
null
null
null
null
null
null
null
null
from Franklin Furnace, New Jersey, USA
13
C 1 2/m 1
-C 2y
12
Potassium sodium barium magnesium zinc manganese iron aluminium titanium chromium silicon oxide hydroxide *
Hendricksite 1M
- Al1.15 Ba0.04 Cr0.01 Fe0.25 H2 K0.89 Mg1.57 Mn0.4 Na0.1 O12 Si2.92 Ti0.07 Zn0.54 -
- Al1.1376 Ba0.04 Cr0.006 Fe0.252 H3 K0.89 Mg1.572 Mn0.4002 Na0.1 O12 Si2.92 Ti0.072 Zn0.54 -
- Al2.2752 Ba0.08 Cr0.012 Fe0.504 H6 K1.78 Mg3.144 Mn0.8004 Na0.2 O24 Si5.84 Ti0.144 Zn1.08 -
2
0.25
Robert, J L; Gasperin, M
Crystal Structure Refinement of Hendricksite, a Zn- and Mn-rich Trioctahedral Potassium Mica: a Contribution to the Crystal Chemistry of Zinc-Bearing Minerals
TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-)
1,985
34
1
14
10.1007/BF01082453
null
0.072
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Robert, J L; Gasperin, M Crystal Structure Refinement of Hendricksite, a Zn- and Mn-rich Trioctahedral Potassium Mica: a Contribution to the Crystal Chemistry of Zinc-Bearing Minerals TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-) 34 (1985) 1-14
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001818.cif $ #-------------------------------------------------------------------...
1,001,819
3.8523
0.0005
3.8523
0.0005
9.077
0.001
90
null
90
null
90
null
134.7
null
null
null
null
null
null
null
null
null
6
P 4/m m m
-P 4 2
123
Mercury tetraoxovanadium barium strontium copper oxide (0.67/0.3/1/1/1/3.34)
- Ba Cu Hg0.67 O4.66 Sr V0.33 -
- Ba Cu Hg0.67 O4.66 Sr V0.332 -
- Ba Cu Hg0.67 O4.66 Sr V0.332 -
1
0.0625
Knížek, K.; Malo, S.; Michel, C.; Hervieu, M.; Maignan, A.; Raveau, B.
The 1201 superconductors Hg~1-y~(VO~4~)y(Ba, Sr)~2~CuO~4-2y+δ~: evidence for VO~4~ tetrahedra
Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)
1,997
277
1-2
119
132
10.1016/S0921-4534(97)00020-8
null
0.044
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Knížek, K.; Malo, S.; Michel, C.; Hervieu, M.; Maignan, A.; Raveau, B. The 1201 superconductors Hg~1-y~(VO~4~)y(Ba, Sr)~2~CuO~4-2y+δ~: evidence for VO~4~ tetrahedra Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands) 277(1-2) (1997) 119-132
200,133
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-03 00:57:34 +0300 (Sun, 03 Sep 2017) $ #$Revision: 200133 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001819.cif $ #-------------------------------------------------------------------...
1,001,820
7.79
0.001
5.526
0.001
5.479
0.001
90
null
90.78
null
90
null
235.8
null
null
null
null
null
null
null
null
null
3
I 1 2/a 1
-I 2ya
15
Lanthanum manganese oxide (.91/1/3)
- La0.9125 Mn O3 -
- La0.9125 Mn O3 -
- La3.65 Mn4 O12 -
4
0.5
Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B.
A monoclinic manganite, La~0.9~MnO~3-δ~, with colossal magnetoresistance properties near room temperature
Solid State Communications
1,997
101
4
277
281
10.1016/S0038-1098(96)00533-9
null
0.072
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B. A monoclinic manganite, La~0.9~MnO~3-δ~, with colossal magnetoresistance properties near room temperature Solid State Communications 101(4) (1997) 277-281
200,124
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-02 14:31:52 +0300 (Sat, 02 Sep 2017) $ #$Revision: 200124 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001820.cif $ #-------------------------------------------------------------------...
1,001,821
5.312
0.001
6.5557
0.0008
42.196
0.008
90
null
90
null
90
null
1,469.4
null
null
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
Phosphorus tungsten oxide (4/24/80)
- O80 P4 W24 -
- O80 P4 W24 -
- O80 P4 W24 -
1
0.25
Roussel, P; Mather, G; Domenges, B; Groult, D; Labbe, P
Structural investigation of P4 W24 O80: A new monophosphate tungsten bronze
Acta Crystallographica B (39,1983-)
1,998
54
365
375
null
0.0284
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Roussel, P; Mather, G; Domenges, B; Groult, D; Labbe, P Structural investigation of P4 W24 O80: A new monophosphate tungsten bronze Acta Crystallographica B (39,1983-) 54 (1998) 365-375
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001821.cif $ #-------------------------------------------------------------------...
1,001,822
3.7865
0.0001
15.854
0.0004
7.654
0.0002
90
null
90
null
90
null
459.5
null
null
null
null
null
null
null
null
null
4
A m m 2
A 2 -2
38
Strontium manganese(III) boron oxide (4/3.2/0.8/10)
- B0.8 Mn3.2 O10 Sr4 -
- B0.8 Mn3.2 O10 Sr4 -
- B1.6 Mn6.4 O20 Sr8 -
2
0.25
Pelloquin, D; Hervieu, M; Michel, C; Nguyen, N; Raveau, B
A new manganese oxyborate, Sr4 Mn3 (B1-x Mnx) O10, closely related to the perovskite structure type
Journal of Solid State Chemistry
1,997
134
395
408
10.1006/jssc.1997.7612
null
0.065
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pelloquin, D; Hervieu, M; Michel, C; Nguyen, N; Raveau, B A new manganese oxyborate, Sr4 Mn3 (B1-x Mnx) O10, closely related to the perovskite structure type Journal of Solid State Chemistry 134 (1997) 395-408
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001822.cif $ #-------------------------------------------------------------------...
1,001,823
5.5919
0.0002
5.6277
0.0002
7.914
0.0003
90
null
90
0
90
null
249
null
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Dilanthanum magnesium platinate
- La2 Mg O6 Pt -
- La2 Mg O6 Pt -
- La4 Mg2 O12 Pt2 -
2
0.5
Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
Materials Chemistry and Physics
1,997
51
117
124
10.1016/S0254-0584(97)80279-9
null
0.048
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) Materials Chemistry and Physics 51 (1997) 117-124
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001823.cif $ #-------------------------------------------------------------------...
7,052,611
6.167
0.003
12.715
0.007
13.095
0.007
114.959
0.008
97.225
0.009
93.347
0.008
916.4
0.8
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C28 H36 N2 O10 Zn2 -
- C28 H32 N2 O10 Zn2 -
- C28 H32 N2 O10 Zn2 -
1
0.5
Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee
Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands
New Journal of Chemistry
2,011
35
4
833
10.1039/c0nj00869a
0.71073
MoKα
0.1342
0.0909
null
null
0.2512
0.2633
null
null
null
null
null
1.019
null
null
has coordinates
Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridy...
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052611.cif $ #-------------------------------------------------------------------...
1,001,824
5.5741
0.0001
5.6304
0.0001
7.8973
0.0002
90
null
90
0
90
null
247.9
null
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Dilanthanum nickel platinate
- La2 Ni O6 Pt -
- La2 Ni O6 Pt -
- La4 Ni2 O12 Pt2 -
2
0.5
Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
Materials Chemistry and Physics
1,997
51
117
124
10.1016/S0254-0584(97)80279-9
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) Materials Chemistry and Physics 51 (1997) 117-124
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001824.cif $ #-------------------------------------------------------------------...
1,001,825
5.5944
0.0001
5.6879
0.0001
7.9351
0.0001
90
null
90
0
90
null
252.5
null
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Dilanthanum zinc platinate
- La2 O6 Pt Zn -
- La2 O6 Pt Zn -
- La4 O12 Pt2 Zn2 -
2
0.5
Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
Materials Chemistry and Physics
1,997
51
117
124
10.1016/S0254-0584(97)80279-9
null
0.052
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) Materials Chemistry and Physics 51 (1997) 117-124
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001825.cif $ #-------------------------------------------------------------------...
1,001,826
5.5722
0.0002
5.6459
0.0001
7.8906
0.0002
90
null
90
0
90
null
248.2
null
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Dilanthanum cobalt platinate
- Co La2 O6 Pt -
- Co La2 O6 Pt -
- Co2 La4 O12 Pt2 -
2
0.5
Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
Materials Chemistry and Physics
1,997
51
117
124
10.1016/S0254-0584(97)80279-9
null
0.037
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) Materials Chemistry and Physics 51 (1997) 117-124
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001826.cif $ #-------------------------------------------------------------------...
1,001,827
5.4833
0.0001
5.7043
0.0001
7.7842
0.0001
90
null
90
0
90
null
243.5
null
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Dipraseodymium cobalt platinate
- Co O6 Pr2 Pt -
- Co O6 Pr2 Pt -
- Co2 O12 Pr4 Pt2 -
2
0.5
Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
Materials Chemistry and Physics
1,997
51
117
124
10.1016/S0254-0584(97)80279-9
null
0.049
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) Materials Chemistry and Physics 51 (1997) 117-124
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001827.cif $ #-------------------------------------------------------------------...
1,001,828
5.4416
0.0001
5.6975
0.0001
7.7495
0.0001
90
null
90
0
90
null
240.3
null
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Dineodymium cobalt platinate
- Co Nd2 O6 Pt -
- Co Nd2 O6 Pt -
- Co2 Nd4 O12 Pt2 -
2
0.5
Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
Materials Chemistry and Physics
1,997
51
117
124
10.1016/S0254-0584(97)80279-9
null
0.021
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) Materials Chemistry and Physics 51 (1997) 117-124
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001828.cif $ #-------------------------------------------------------------------...
7,052,610
5.8322
0.0006
10.6119
0.001
13.5639
0.0013
89.324
0.002
86.923
0.002
86.978
0.002
837.07
0.14
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C28 H44 N2 O14 Zn2 -
- C28 H40 N2 O14 Zn2 -
- C28 H40 N2 O14 Zn2 -
1
0.5
Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee
Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands
New Journal of Chemistry
2,011
35
4
833
10.1039/c0nj00869a
0.71073
MoKα
0.0464
0.0381
null
null
0.0939
0.0958
null
null
null
null
null
0.974
null
null
has coordinates
Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridy...
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052610.cif $ #-------------------------------------------------------------------...
1,001,829
3.8577
0.0001
3.8577
0.0001
11.794
0.0003
90
null
90
null
90
null
175.5
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Yttrium barium copper iron oxide (1/2/2.94/0.06/6.36)
- Ba2 Cu2.94 Fe0.06 O6.36 Y -
- Ba2 Cu2.94 Fe0.06 O6.36 Y -
- Ba2 Cu2.94 Fe0.06 O6.36 Y -
1
0.0625
Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M
Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study
Physica C (Amsterdam) (152,1988-)
1,997
288
10
20
10.1016/S0921-4534(97)01465-2
null
0.034
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study Physica C (Amsterdam) (152,1988-) 288 (1997) 10-20
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001829.cif $ #-------------------------------------------------------------------...
1,001,830
3.8575
0.0001
3.8575
0.0001
11.8056
0.0003
90
null
90
null
90
null
175.7
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Yttrium barium copper iron oxide (1/2/2.88/0.12/6.26)
- Ba2 Cu2.88 Fe0.12 O6.26 Y -
- Ba2 Cu2.88 Fe0.12 O6.26 Y -
- Ba2 Cu2.88 Fe0.12 O6.26 Y -
1
0.0625
Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M
Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study
Physica C (Amsterdam) (152,1988-)
1,997
288
10
20
10.1016/S0921-4534(97)01465-2
null
0.05
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study Physica C (Amsterdam) (152,1988-) 288 (1997) 10-20
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001830.cif $ #-------------------------------------------------------------------...
1,001,831
3.8697
0.0001
3.8697
0.0001
11.8353
0.0004
90
null
90
null
90
null
177.2
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Yttrium barium copper iron oxide (1/2/2.64/0.36/6.41)
- Ba2 Cu2.64 Fe0.36 O6.41 Y -
- Ba2 Cu1.655 Fe0.345 O6.41 Y -
- Ba2 Cu1.655 Fe0.345 O6.41 Y -
1
0.0625
Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M
Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study
Physica C (Amsterdam) (152,1988-)
1,997
288
10
20
10.1016/S0921-4534(97)01465-2
null
0.04
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study Physica C (Amsterdam) (152,1988-) 288 (1997) 10-20
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001831.cif $ #-------------------------------------------------------------------...
1,001,832
3.8718
0.0001
3.8718
0.0001
11.8256
0.0004
90
null
90
null
90
null
177.3
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Yttrium barium copper iron oxide (1/2/2.52/0.48/6.46)
- Ba2 Cu2.52 Fe0.48 O6.46 Y -
- Ba2 Cu1.56 Fe0.44 O6.46 Y -
- Ba2 Cu1.56 Fe0.44 O6.46 Y -
1
0.0625
Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M
Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study
Physica C (Amsterdam) (152,1988-)
1,997
288
10
20
10.1016/S0921-4534(97)01465-2
null
0.039
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study Physica C (Amsterdam) (152,1988-) 288 (1997) 10-20
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001832.cif $ #-------------------------------------------------------------------...
1,001,833
6.758
0.001
6.339
0.001
7.054
0.001
90
null
110.13
0.01
90
null
283.7
null
null
null
null
null
null
null
null
null
4
P 1 21/m 1
-P 2yb
11
Molybdenum dioxide hydroxotrioxophosphate(V) hydrate
- H3 Mo O7 P -
- H3 Mo O7 P -
- H6 Mo2 O14 P2 -
2
0.5
Biot, C; Leclaire, A; Borel, M M; Raveau, B
Revised crystal structure of molybdenum hydroxymonophosphate, (Mo O2) . (H2 O) . (P (O3 O H))
Zeitschrift fuer Kristallographie (149,1979-)
1,997
212
792
794
null
0.038
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Biot, C; Leclaire, A; Borel, M M; Raveau, B Revised crystal structure of molybdenum hydroxymonophosphate, (Mo O2) . (H2 O) . (P (O3 O H)) Zeitschrift fuer Kristallographie (149,1979-) 212 (1997) 792-794
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001833.cif $ #-------------------------------------------------------------------...
7,052,609
8.9211
0.0012
9.6889
0.0013
11.322
0.0015
113.677
0.002
100.094
0.002
91.366
0.002
877.5
0.2
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C36 H42 N4 O11 Zn2 -
- C36 H40 N4 O11 Zn2 -
- C36 H40 N4 O11 Zn2 -
1
0.5
Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee
Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands
New Journal of Chemistry
2,011
35
4
833
10.1039/c0nj00869a
0.71073
MoKα
0.0397
0.0312
null
null
0.0654
0.0667
null
null
null
null
null
0.924
null
null
has coordinates
Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridy...
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052609.cif $ #-------------------------------------------------------------------...
1,001,834
6.3524
0.0007
6.3524
0.0007
4.0916
0.0005
90
null
90
null
90
null
165.1
null
null
null
null
null
null
null
null
null
4
P 4/n m m :2
-P 4a 2a
129
Niobium tungsten oxide phosphate(V) (0.79/0.21/1/1) α-α'
- Nb0.787 O5 P W0.213 -
- Nb0.787 O5 P W0.213 -
- Nb1.574 O10 P2 W0.426 -
2
0.125
Leclaire, A.; Borel, M. M.; Raveau, B.; Mezaoui, D.
Combination of α-NbOPO~4 type layers with enantiomorphic α'-type layers: the "racemic structure" of α-α'-(Nb~0.787~W~0.213OPO~4~)
Zeitschrift fuer Kristallographie (149,1979-)
1,997
212
837
839
10.1524/zkri.1997.212.12.837
null
0.024
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A.; Borel, M. M.; Raveau, B.; Mezaoui, D. Combination of α-NbOPO~4 type layers with enantiomorphic α'-type layers: the "racemic structure" of α-α'-(Nb~0.787~W~0.213OPO~4~) Zeitschrift fuer Kristallographie (149,1979-) 212 (1997) 837-839
200,077
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-01 21:08:54 +0300 (Fri, 01 Sep 2017) $ #$Revision: 200077 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001834.cif $ #-------------------------------------------------------------------...
1,001,835
5.893
0.003
7.469
0.002
12.07
0.002
90
null
90
null
90
null
531.3
null
null
null
null
null
null
null
null
null
Synthetic
4
P b c n
-P 2n 2ab
60
Calcium chloride dihydrate
Sinjarite
- Ca Cl2 H4 O2 -
- Ca Cl2 H4 O2 -
- Ca4 Cl8 H16 O8 -
4
0.5
Leclaire, A.; Borel, M. M.
Le dichlorure de calcium dihydrate
Acta Crystallographica, Section B
1,977
33
1608
1610
10.1107/S0567740877006645
null
0.083
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A.; Borel, M. M. Le dichlorure de calcium dihydrate Acta Crystallographica, Section B 33 (1977) 1608-1610
282,068
2023-03-26
10:11:44
#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001835.cif $ #-------------------------------------------------------------------...
1,001,836
7.375
0.0013
7.375
0.0013
7.5009
0.0006
90
null
90
null
120
null
353.3
null
null
null
null
null
null
null
null
null
3
P 63/m c m
-P 6c 2
193
Indium tungsten oxide (0.3/1/3)
- In0.3 O3 W -
- In0.3 O3 W -
- In1.8 O18 W6 -
6
0.25
Labbe, P H; Goreaud, M; Raveau, B; Monier, J C
Etude comparative des structures Mx W O3 de type bronze hexagonal. I. Analyse structurale des bronzes de composition M0.3 W O3 . Stereochimie des elements M=Rb, Tl et In
Acta Crystallographica B (24,1968-38,1982)
1,978
34
1433
1438
10.1107/S0567740878005841
null
0.044
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures Mx W O3 de type bronze hexagonal. I. Analyse structurale des bronzes de composition M0.3 W O3 . Stereochimie des elements M=Rb, Tl et In Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1433-1438
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001836.cif $ #-------------------------------------------------------------------...
7,052,608
3.9006
0.0004
6.928
0.0007
7.7307
0.0008
107.693
0.009
99.426
0.008
94.527
0.008
194.49
0.04
120
2
120
2
null
null
null
null
5
P -1
-P 1
2
- C2 H2 Br Cu N -
- C2 H2 Br Cu N -
- C4 H4 Br2 Cu2 N2 -
2
1
Pospisil, Jiri; Jess, Inke; Näther, Christian; Necas, Marek; Taborsky, Petr
Luminescence properties of “double-stranded staircase” copper(i) halide coordination polymers with N-containing ligands
New Journal of Chemistry
2,011
35
4
861
10.1039/c0nj00809e
0.71073
MoKα
0.037
0.0342
null
null
0.1123
0.1132
null
null
null
null
null
1.204
null
null
has coordinates
Pospisil, Jiri; Jess, Inke; Näther, Christian; Necas, Marek; Taborsky, Petr Luminescence properties of “double-stranded staircase” copper(i) halide coordination polymers with N-containing ligands New Journal of Chemistry 35(4) (2011) 861
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052608.cif $ #-------------------------------------------------------------------...
1,001,837
8.436
0.001
9.594
0.002
7.952
0.002
90
null
100.65
0.02
90
null
632.5
null
null
null
null
null
null
null
null
null
3
C 1 c 1
C -2yc
9
Cadmium arsenide iodide (2/3/1)
- As3 Cd2 I -
- As3 Cd2 I -
- As12 Cd8 I4 -
4
1
Rebbah, A; Leclaire, A; Yazbeck, J; Deschanvres, A
Structure de l'iodure de cadmium et d'arsenic Cd2 As3 I
Acta Crystallographica B (24,1968-38,1982)
1,979
35
2197
2199
10.1107/S0567740879008773
null
0.08
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rebbah, A; Leclaire, A; Yazbeck, J; Deschanvres, A Structure de l'iodure de cadmium et d'arsenic Cd2 As3 I Acta Crystallographica B (24,1968-38,1982) 35 (1979) 2197-2199
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001837.cif $ #-------------------------------------------------------------------...
1,001,838
14.59
null
10.52
null
6.82
null
90
null
90
null
122.25
null
885.3
null
null
null
null
null
null
null
null
null
3
B 1 1 2/b
-B 2b
15
Yttrium silicate oxide
- O5 Si Y2 -
- O5 Si Y2 -
- O40 Si8 Y16 -
8
1
Michel, C; Buisson, G; Bertaut, E F
Structure de Y2 Si O5
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie B
1,967
264
397
399
null
0.114
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Michel, C; Buisson, G; Bertaut, E F Structure de Y2 Si O5 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie B 264 (1967) 397-399
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001838.cif $ #-------------------------------------------------------------------...
1,001,839
10.48
null
10.48
null
10.48
null
90
null
90
null
90
null
1,151
null
null
null
null
null
null
null
null
null
synthetic
3
F d -3 m :1
F 4d 2 3 -1d
227
Ditin ditantalate
Stannomicrolite
- O7 Sn2 Ta2 -
- O7 Sn2 Ta2 -
- O56 Sn16 Ta16 -
8
0.041667
Gasperin, M
Synthese et identification de deux oxydes doubles de tantale et d'etain.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,955
240
2340
2342
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M Synthese et identification de deux oxydes doubles de tantale et d'etain. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 240 (1955) 2340-2342
282,068
2023-03-26
10:11:44
#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001839.cif $ #-------------------------------------------------------------------...
1,001,840
10.47
0.005
10.47
0.005
10.47
0.005
90
null
90
null
90
null
1,147.7
null
null
null
null
null
null
null
null
null
synthetic
3
F d -3 m :1
F 4d 2 3 -1d
227
Ditin ditantalum oxide
Stannomicrolite
- O7 Sn2 Ta2 -
- O7 Sn2 Ta2 -
- O56 Sn16 Ta16 -
8
0.041667
Gasperin, M
Contribution a l'etude de quelques oxydes doubles que forme le tantale avec l'etain, l'uranium et le calcium.
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)
1,960
83
1
21
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M Contribution a l'etude de quelques oxydes doubles que forme le tantale avec l'etain, l'uranium et le calcium. Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 83 (1960) 1-21
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001840.cif $ #-------------------------------------------------------------------...
1,001,841
17.53499
0.011
11.889
0.007
12.816
0.008
90
null
90
null
90
null
2,671.8
null
null
null
null
null
null
null
null
null
3
P 1 21 1 (c,2*a+c,b)
P 2yb (-1/2*x+z,1/2*x,y)
4
Trilanthanum rhenium(VII) oxide
- La3 O8 Re -
- La3 O8 Re -
- La48 O128 Re16 -
16
null
Baud, G; Besse, J; Chevalier, R; Gasperin, M
Structure cristalline de La3 Re O8
Journal of Solid State Chemistry
1,979
29
267
272
10.1016/0022-4596(79)90232-9
null
0.09
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Baud, G; Besse, J; Chevalier, R; Gasperin, M Structure cristalline de La3 Re O8 Journal of Solid State Chemistry 29 (1979) 267-272
277,833
2022-09-14
15:22:10
#------------------------------------------------------------------------------ #$Date: 2022-09-14 18:21:52 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277833 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001841.cif $ #-------------------------------------------------------------------...
1,001,842
7.83
null
33.20999
null
6.46
null
90
null
90
null
90
null
1,679.8
null
null
null
null
null
null
null
null
null
3
P 21 n b
P -2bc 2a
33
Tetrapotassium hexaniobium oxide
- K4 Nb6 O17 -
- K4 Nb6 O17 -
- K16 Nb24 O68 -
4
1
Gasperin, M; le Bihan, M T
Mecanisme d'hydratation des niobates alcalins lamellaires de formule A4 Nb4 O17 (A=K,Rb,Cs)
Journal of Solid State Chemistry
1,982
43
346
353
10.1016/0022-4596(82)90251-1
null
0.147
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M; le Bihan, M T Mecanisme d'hydratation des niobates alcalins lamellaires de formule A4 Nb4 O17 (A=K,Rb,Cs) Journal of Solid State Chemistry 43 (1982) 346-353
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001842.cif $ #-------------------------------------------------------------------...
7,052,607
25.514
0.004
27.351
0.004
12.6917
0.0018
90
null
90
null
90
null
8,857
2
223
2
223
2
null
null
null
null
6
P 21 21 2
P 2 2ab
18
- C58 H110.5 Br3.5 Cl N33 O40.5 -
- C58 H61 Br3.5 Cl1.0005 N33 O16.5 -
- C232 H244 Br14 Cl4.002 N132 O66 -
4
1
Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang
Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests
New Journal of Chemistry
2,011
35
5
1088
10.1039/c0nj00752h
0.71073
MoKα
0.1106
0.0697
null
null
0.1692
0.1853
null
null
null
null
null
0.991
null
null
has coordinates,has disorder
Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests New Journal of Chemistry 35(5) (2011) 1088
176,453
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052607.cif $ #-------------------------------------------------------------------...
1,001,843
8.022
0.005
8.022
0.005
16.51299
0.009
90
null
90
null
120
null
920.3
null
null
null
null
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
Sodium trineptunium(IV) fluoride
- F13 Na Np3 -
- F13 Na Np3 -
- F52 Na4 Np12 -
4
0.166667
Cousson, A; Abazli, H; Pages, M; Gasperin, M
Fluorure de neptunium et de sodium: Na Np3 F13
Acta Crystallographica C (39,1983-)
1,983
39
318
320
null
0.066
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Cousson, A; Abazli, H; Pages, M; Gasperin, M Fluorure de neptunium et de sodium: Na Np3 F13 Acta Crystallographica C (39,1983-) 39 (1983) 318-320
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001843.cif $ #-------------------------------------------------------------------...
1,001,844
8.455
0.008
8.858
0.009
8.396
0.01
113.83
null
116.64
null
58.03
null
465.2
null
null
null
null
null
null
null
null
null
4
P 1
P 1
1
Trineptunium(IV) fluoride hydrate
- F12 H2 Np3 O -
- F12 H2 Np3 O -
- F24 H4 Np6 O2 -
2
2
Cousson, A; Abazli, H; Pages, M; Gasperin, M
Tetrafluorure de Neptunium Hydrate, Np3 F12 1. 1H H2 O
Acta Crystallographica C (39,1983-)
1,983
39
425
427
null
0.079
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Cousson, A; Abazli, H; Pages, M; Gasperin, M Tetrafluorure de Neptunium Hydrate, Np3 F12 1. 1H H2 O Acta Crystallographica C (39,1983-) 39 (1983) 425-427
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001844.cif $ #-------------------------------------------------------------------...
1,001,845
19.58899
0.003
3.7681
0.0002
16.96999
0.003
90
null
91.864
0.014
90
null
1,251.9
null
null
null
null
null
null
null
null
null
4
P 1 2/c 1
-P 2yc
13
Potassium phosphorus tungsten oxide (1/4/20/67)
- K O67 P4 W20 -
- K O67 P4 W20 -
- K O67 P4 W20 -
1
0.25
Labbe, P; Ouachee, D; Goreaud, M; Raveau, B
Bronzes with a Tunnel Structure Kx P4 O8 (W O3)2m: The Tenth Member of the Series - K P8 W40 O136
Journal of Solid State Chemistry
1,983
50
163
172
10.1016/0022-4596(83)90184-6
null
0.04
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Labbe, P; Ouachee, D; Goreaud, M; Raveau, B Bronzes with a Tunnel Structure Kx P4 O8 (W O3)2m: The Tenth Member of the Series - K P8 W40 O136 Journal of Solid State Chemistry 50 (1983) 163-172
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001845.cif $ #-------------------------------------------------------------------...
1,001,846
7.3244
0.0013
7.9045
0.0007
9.5745
0.0015
90
null
111.858
0.013
90
null
514.5
null
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
Iron(III) sodium diphosphate(V) - HT-form II
- Fe Na O7 P2 -
- Fe Na O7 P2 -
- Fe4 Na4 O28 P8 -
4
1
Gabelica-Robert, M; Goreaud, M; Labbe, P; Raveau, B
The pyrophosphate Na Fe P2 O7: A cage structure
Journal of Solid State Chemistry
1,982
45
389
395
10.1016/0022-4596(82)90184-0
null
0.04
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gabelica-Robert, M; Goreaud, M; Labbe, P; Raveau, B The pyrophosphate Na Fe P2 O7: A cage structure Journal of Solid State Chemistry 45 (1982) 389-395
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001846.cif $ #-------------------------------------------------------------------...
1,001,847
7.524
0.004
7.524
0.004
8.259
0.008
90
null
90
null
120
null
404.9
null
null
null
null
null
null
null
null
null
4
P -3 m 1
-P 3 2"
164
Titanium hexatantalum dithallium oxide
- O18 Ta6 Ti Tl2 -
- O18 Ta6 Ti Tl1.9998 -
- O18 Ta6 Ti Tl1.9998 -
1
0.083333
Desgardin, G; Robert, C; Raveau, B
Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18
Materials Research Bulletin
1,978
13
621
626
10.1016/0025-5408(78)90187-3
null
0.05
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Desgardin, G; Robert, C; Raveau, B Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18 Materials Research Bulletin 13 (1978) 621-626
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001847.cif $ #-------------------------------------------------------------------...
1,001,848
7.524
0.004
7.524
0.004
8.259
0.008
90
null
90
null
120
null
404.9
null
null
null
null
null
null
null
null
null
4
P -3 m 1
-P 3 2"
164
Dithallium hexatantalum titanium oxide
- O18 Ta6 Ti Tl2 -
- O18 Ta6 Ti Tl1.9998 -
- O18 Ta6 Ti Tl1.9998 -
1
0.083333
Desgardin, G; Robert, C; Raveau, B
Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18
Materials Research Bulletin
1,978
13
621
626
10.1016/0025-5408(78)90187-3
null
0.06
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Desgardin, G; Robert, C; Raveau, B Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18 Materials Research Bulletin 13 (1978) 621-626
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001848.cif $ #-------------------------------------------------------------------...
7,052,606
18.139
0.005
21.311
0.005
22.34
0.006
90
null
90.915
0.003
90
null
8,635
4
223
2
223
2
null
null
null
null
5
P 1 21 1
P 2yb
4
- C66 H104 Br2 N34 O34 -
- C66 H72 Br2.0013 N34 O18 -
- C264 H288 Br8.0052 N136 O72 -
4
2
Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang
Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests
New Journal of Chemistry
2,011
35
5
1088
10.1039/c0nj00752h
0.71073
MoKα
0.077
0.0599
null
null
0.1571
0.1666
null
null
null
null
null
1.055
null
null
has coordinates,has disorder
Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests New Journal of Chemistry 35(5) (2011) 1088
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052606.cif $ #-------------------------------------------------------------------...
1,001,849
7.537
0.004
7.537
0.004
8.224
0.008
90
null
90
null
120
null
404.6
null
null
null
null
null
null
null
null
null
4
P -3 m 1
-P 3 2"
164
Titanium hexaniobium dithallium oxide
- Nb6 O18 Ti Tl2 -
- Nb6 O18 Ti Tl1.9998 -
- Nb6 O18 Ti Tl1.9998 -
1
0.083333
Desgardin, G; Robert, C; Raveau, B
Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18
Materials Research Bulletin
1,978
13
621
626
10.1016/0025-5408(78)90187-3
null
0.08
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Desgardin, G; Robert, C; Raveau, B Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18 Materials Research Bulletin 13 (1978) 621-626
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001849.cif $ #-------------------------------------------------------------------...
1,001,850
7.537
0.004
7.537
0.004
8.224
0.008
90
null
90
null
120
null
404.6
null
null
null
null
null
null
null
null
null
4
P -3 m 1
-P 3 2"
164
Titanium hexaniobium dithallium oxide
- Nb6 O18 Ti Tl2 -
- Nb6 O18 Ti Tl1.9998 -
- Nb6 O18 Ti Tl1.9998 -
1
0.083333
Desgardin, G; Robert, C; Raveau, B
Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18
Materials Research Bulletin
1,978
13
621
626
10.1016/0025-5408(78)90187-3
null
0.08
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Desgardin, G; Robert, C; Raveau, B Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18 Materials Research Bulletin 13 (1978) 621-626
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001850.cif $ #-------------------------------------------------------------------...
1,001,851
8.44
0.003
13.034
0.004
8.203
0.003
90
null
112.49
0.02
90
null
833.8
null
null
null
null
null
null
null
null
null
3
P 1 2/n 1
-P 2yac
13
Tris(octasulfur) tetraimidotetrasulfur - $-gamma
- H4 N4 S28 -
- H6 N4 S28 -
- H6 N4 S28 -
1
0.25
Fernandez, H G; Gasperin, M; Freymann, R
Cristallochimie - etude structurale, chimique et par spectrographie infrarouge du complexe par transfert de charge (S8)3 (S4 (N H)4)
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)
1,981
292
1393
1396
null
0.039
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fernandez, H G; Gasperin, M; Freymann, R Cristallochimie - etude structurale, chimique et par spectrographie infrarouge du complexe par transfert de charge (S8)3 (S4 (N H)4) Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 292 (1981) 1393-1396
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001851.cif $ #-------------------------------------------------------------------...
1,001,852
8.2905
0.001
8.2905
0.001
17.439
0.0023
90
null
90
null
120
null
1,038
null
null
null
null
null
null
null
null
null
5
P -3 1 c
-P 3 2c
163
Rubidium molybdophosphatosilicate *
- Mo3 O25 P5.8 Rb Si2 -
- Mo3 O25 P5.82 Rb Si2 -
- Mo6 O50 P11.64 Rb2 Si4 -
2
0.166667
Leclaire, A; Monier, J C; Raveau, B
A molybdosilicophosphate with an intersecting - tunnel structure, which exhibits ion - exchange properties, a Mo3 P5.8 Si2 O25 (A = Rb, Tl)
Acta Crystallographica B (39,1983-)
1,984
40
180
185
null
0.031
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Monier, J C; Raveau, B A molybdosilicophosphate with an intersecting - tunnel structure, which exhibits ion - exchange properties, a Mo3 P5.8 Si2 O25 (A = Rb, Tl) Acta Crystallographica B (39,1983-) 40 (1984) 180-185
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001852.cif $ #-------------------------------------------------------------------...
7,052,605
13.284
0.003
9.1181
0.0018
11.576
0.002
90
null
97.245
0.007
90
null
1,390.9
0.5
293
2
293
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C10 H13 Br4 N -
- C10 H13 Br4 N -
- C40 H52 Br16 N4 -
4
1
Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang
Host–guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests
New Journal of Chemistry
2,011
35
5
1088
10.1039/c0nj00752h
0.71073
MoKα
0.0744
0.0478
null
null
0.1155
0.1236
null
null
null
null
null
1.045
null
null
has coordinates
Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang Host–guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests New Journal of Chemistry 35(5) (2011) 1088
301,851
2025-08-21
20:32:41
#------------------------------------------------------------------------------ #$Date: 2025-08-21 23:04:39 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301851 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052605.cif $ #-------------------------------------------------------------------...
1,001,853
8.2832
0.0005
8.2832
0.0005
17.4343
0.001
90
null
90
null
120
null
1,035.9
null
null
null
null
null
null
null
null
null
5
P -3 1 c
-P 3 2c
163
Thallium molybdosilicophosphate *
- Mo3 O25 P5.8 Si2 Tl -
- Mo3 O25 P5.82 Si2 Tl -
- Mo6 O50 P11.64 Si4 Tl2 -
2
0.166667
Leclaire, A; Monier, J R; Raveau, B
A molybdosilicophosphate with an intersecting - tunnel structure, which exhibits ion - exchange properties, a Mo3 P5.8 Si2 O25 (A = Rb, Tl)
Acta Crystallographica B (39,1983-)
1,984
40
180
185
null
0.054
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Monier, J R; Raveau, B A molybdosilicophosphate with an intersecting - tunnel structure, which exhibits ion - exchange properties, a Mo3 P5.8 Si2 O25 (A = Rb, Tl) Acta Crystallographica B (39,1983-) 40 (1984) 180-185
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001853.cif $ #-------------------------------------------------------------------...
1,001,854
8.644
0.004
8.644
0.004
3.867
0.003
90
null
90
null
90
null
288.9
null
null
null
null
null
null
null
null
null
4
P 4/m
-P 4
83
Barium tetralanthanum pentacopper 13.4-oxide
- Ba Cu5 La4 O13.4 -
- Ba Cu5 La4 O13.395 -
- Ba Cu5 La4 O13.395 -
1
0.125
Michel, C; Er-Rakho, L; Raveau, B
The oxygen defect perovskite Ba La4 Cu5 O13.4, a metallic conductor
Materials Research Bulletin
1,985
20
667
671
10.1016/0025-5408(85)90144-8
null
0.083
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Michel, C; Er-Rakho, L; Raveau, B The oxygen defect perovskite Ba La4 Cu5 O13.4, a metallic conductor Materials Research Bulletin 20 (1985) 667-671
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001854.cif $ #-------------------------------------------------------------------...
1,001,855
8.6974
0.0007
8.6974
0.0007
22.12299
0.002
90
null
90
null
120
null
1,449.3
null
null
null
null
null
null
null
null
null
3
R -3 c :H
-R 3 2"c
167
Niobium(IV) niobium(V) phosphate(V)
- Nb2 O12 P3 -
- Nb2 O12 P3 -
- Nb12 O72 P18 -
6
0.166667
Leclaire, A; Borel, M M; Grandin, A; Raveau, B
A mixed-valence niobium phosphate with an empty nasicon structure: Nb2 (P O4)3
Acta Crystallographica C (39,1983-)
1,989
45
699
701
null
0.0347
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Borel, M M; Grandin, A; Raveau, B A mixed-valence niobium phosphate with an empty nasicon structure: Nb2 (P O4)3 Acta Crystallographica C (39,1983-) 45 (1989) 699-701
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001855.cif $ #-------------------------------------------------------------------...
1,001,856
5.072
0.001
4.903
0.001
8.402
0.002
90
null
90
null
90
null
208.9
null
null
null
null
null
null
null
null
null
4
P n n 2
P 2 -2n
34
Dilithium titanium hexaoxotellurate
- Li2 O6 Te Ti -
- Li2 O6 Te Ti -
- Li4 O12 Te2 Ti2 -
2
0.5
Choisnet, J; Rulmont, A; Tarte, P
Ordering phenomena in the Li Sb O3 type structure: The new mixed tellurates Li2 Ti Te O6 and Li2 Sn Te O6
Journal of Solid State Chemistry
1,989
82
272
278
10.1016/0022-4596(89)90292-2
null
0.038
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Choisnet, J; Rulmont, A; Tarte, P Ordering phenomena in the Li Sb O3 type structure: The new mixed tellurates Li2 Ti Te O6 and Li2 Sn Te O6 Journal of Solid State Chemistry 82 (1989) 272-278
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001856.cif $ #-------------------------------------------------------------------...
7,052,604
9.339
0.008
15.689
0.014
12.461
0.011
90
null
90
null
90
null
1,826
3
293
2
293
2
null
null
null
null
5
P b c n
-P 2n 2ab
60
- C15 H23 Br2 N2 O3.5 -
- C15 H20 Br2 N2 O2 -
- C60 H80 Br8 N8 O8 -
4
0.5
Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang
Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests
New Journal of Chemistry
2,011
35
5
1088
10.1039/c0nj00752h
0.71073
MoKα
0.055
0.0327
null
null
0.0772
0.082
null
null
null
null
null
1.045
null
null
has coordinates
Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests New Journal of Chemistry 35(5) (2011) 1088
176,453
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052604.cif $ #-------------------------------------------------------------------...
1,001,857
8.2648
0.0009
8.2648
0.0009
17.03799
0.001
90
null
90
null
120
null
1,007.9
null
null
null
null
null
null
null
null
null
5
P -3 1 c
-P 3 2c
163
Potassium titanium disilicohexaphosphate (1/3/1)
- K O25 P6 Si2 Ti3 -
- K O25 P6 Si2 Ti3 -
- K2 O50 P12 Si4 Ti6 -
2
0.166667
Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25
Acta Crystallographica C (39,1983-)
1,991
47
936
938
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25 Acta Crystallographica C (39,1983-) 47 (1991) 936-938
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001857.cif $ #-------------------------------------------------------------------...
1,001,858
8.2145
0.0006
8.2145
0.0006
17.24899
0.001
90
null
90
null
120
null
1,008
null
null
null
null
null
null
null
null
null
5
P -3 1 c
-P 3 2c
163
Caesium titanium disilicohexaphosphate (1/3/1)
- Cs O25 P6 Si2 Ti3 -
- Cs O25 P6 Si2 Ti3 -
- Cs2 O50 P12 Si4 Ti6 -
2
0.166667
Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25
Acta Crystallographica C (39,1983-)
1,991
47
936
938
null
0.034
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25 Acta Crystallographica C (39,1983-) 47 (1991) 936-938
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001858.cif $ #-------------------------------------------------------------------...
1,001,859
13.3799
0.0009
13.3799
0.0009
10.3713
0.001
90
null
90
null
120
null
1,607.9
null
null
null
null
null
null
null
null
null
5
R 3 2 :H
R 3 2"
155
Calcium caesium niobiophosphate *
- Ca0.504 Cs2 Nb6 O24 P3 -
- Ca0.504 Cs1.998 Nb6 O24 P3 -
- Ca1.512 Cs5.994 Nb18 O72 P9 -
3
0.166667
Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
A niobium phosphate with a tunnel structure: Ca0.5Cs2Nb6P3O24
Journal of Solid State Chemistry
1,991
90
279
284
10.1016/0022-4596(91)90143-6
null
0.034
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B A niobium phosphate with a tunnel structure: Ca0.5Cs2Nb6P3O24 Journal of Solid State Chemistry 90 (1991) 279-284
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001859.cif $ #-------------------------------------------------------------------...
1,001,860
9.1584
0.0005
9.1584
0.0005
12.0404
0.0004
90
null
90
null
120
null
874.6
null
null
null
null
null
null
null
null
null
3
P 63/m c m
-P 6c 2
193
Tripotassium tecto-octaniobate
- K3 Nb8 O21 -
- K3 Nb8 O21 -
- K6 Nb16 O42 -
2
0.083333
Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
Single-crystal structure of K3 Nb8 O21
Acta Crystallographica C (39,1983-)
1,993
49
439
441
null
0.044
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B Single-crystal structure of K3 Nb8 O21 Acta Crystallographica C (39,1983-) 49 (1993) 439-441
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001860.cif $ #-------------------------------------------------------------------...
7,052,603
27.8503
0.0009
27.8503
0.0009
31.8394
0.0013
90
null
90
null
120
null
21,387.3
1.3
296
0.1
296
2
null
null
null
null
6
R -3 :H
-R 3
148
- C126 H123 Cl12 Fe11 N0 O42 -
- C126 H117 Cl12 Fe11 O42 -
- C756 H702 Cl72 Fe66 O252 -
6
0.333333
Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H.
Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species
New Journal of Chemistry
2,011
35
4
842
10.1039/c0nj00621a
0.71073
MoKα
0.1083
0.074
null
null
0.1912
0.2324
null
null
null
null
null
1.071
null
null
has coordinates,has disorder
Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H. Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species New Journal of Chemistry 35(4) (2011) 842
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052603.cif $ #-------------------------------------------------------------------...
1,001,861
9.046
0.001
9.046
0.001
27.883
0.001
90
null
90
null
120
null
1,976
null
null
null
null
null
null
null
null
null
5
P 63/m c m
-P 6c 2
193
Potassium calcium siliconiobate *
- Ca0.75 K6.5 Nb14 O47 Si4 -
- Ca0.75 K6.5001 Nb14 O47 Si4 -
- Ca1.5 K13.0002 Nb28 O94 Si8 -
2
0.083333
Borel, M M; Chardon, J; Grandin, A; Leclaire, A; Raveau, B
Structure of a new siliconiobate K6.5 Ca0.75 Nb14 Si4 O47
Acta Crystallographica C (39,1983-)
1,993
49
570
571
null
0.028
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Borel, M M; Chardon, J; Grandin, A; Leclaire, A; Raveau, B Structure of a new siliconiobate K6.5 Ca0.75 Nb14 Si4 O47 Acta Crystallographica C (39,1983-) 49 (1993) 570-571
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001861.cif $ #-------------------------------------------------------------------...
1,001,862
13.3518
0.0005
13.3518
0.0005
10.3415
0.0005
90
null
90
null
120
null
1,596.6
null
null
null
null
null
null
null
null
null
5
R 3 2 :H
R 3 2"
155
Sodium dirubidium tecto-hexaniobotriphosphate(V)
- Na Nb6 O24 P3 Rb2 -
- Na Nb6 O24 P3 Rb1.998 -
- Na3 Nb18 O72 P9 Rb5.994 -
3
0.166667
Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
A large family of niobium phosphates with the Ca0.5 Cs2 Nb6 P3 O24 structure
Materials Research Bulletin
1,991
26
301
307
10.1016/0025-5408(91)90025-H
null
0.048
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B A large family of niobium phosphates with the Ca0.5 Cs2 Nb6 P3 O24 structure Materials Research Bulletin 26 (1991) 301-307
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001862.cif $ #-------------------------------------------------------------------...
1,001,863
16.952
0.002
16.952
0.002
11.833
0.001
90
null
90
null
120
null
2,944.9
null
null
null
null
null
null
null
null
null
6
P 63/m
-P 6c
176
Dipotassium heptacaesium tecto-nonamolybdo(V)trialumoundecaphosphate(V)
- Al3 Cs7 K2 Mo9 O59 P11 -
- Al3 Cs7.002 K1.998 Mo9 O59 P11 -
- Al6 Cs14.004 K3.996 Mo18 O118 P22 -
2
0.166667
Guesdon, A; Leclaire, A; Borel, M M; Raveau, B
Significant structural disorganization in alkaline molybdenum(V) aluminophosphates
Chemistry of Materials (1,1989-
1,995
7
1873
1878
10.1021/cm00058a018
null
0.043
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Guesdon, A; Leclaire, A; Borel, M M; Raveau, B Significant structural disorganization in alkaline molybdenum(V) aluminophosphates Chemistry of Materials (1,1989- 7 (1995) 1873-1878
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/18/1001863.cif $ #-------------------------------------------------------------------...
1,004,000
9.0847
0.0005
9.1602
0.0005
9.566
0.0005
103.732
0.001
116.622
0.001
106.265
0.001
619.1
0.06
173
2
173
2
null
null
null
null
5
P -1
-P 1
2
Tungsten sulfide cluster with
octakis(mu!3$-sulfido)-hexakis(methylamine)-hexa-tungsten
- C6 H30 N6 S8 W6 -
- C6 H30 N6 S8 W6 -
- C6 H30 N6 S8 W6 -
1
0.5
Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.
Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds
Inorganic Chemistry
2,001
40
12
2666
2674
10.1021/ic001314q
0.71073
MoKα
0.047
0.0444
null
null
0.1222
0.1239
null
null
null
null
null
1.097
null
null
has coordinates
Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674
301,771
2025-08-18
12:22:44
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:21:50 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301771 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004000.cif $ #-------------------------------------------------------------------...
1,004,001
24.6648
0.0012
19.8619
0.0009
20.1365
0.001
90
null
103.324
0.001
90
null
9,599.1
0.8
163
2
163
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
Tungsten sulfide cluster with tri-n-
octakis(mu!3$-sulfido)-hexakis(tri-n-butylphosphine)-hexa-tungsten
- C72 H162 P6 S8 W6 -
- C72 H162 P6 S8 W6 -
- C288 H648 P24 S32 W24 -
4
0.5
Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.
Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds
Inorganic Chemistry
2,001
40
12
2666
2674
10.1021/ic001314q
0.71073
MoKα
0.0396
0.025
null
null
0.0506
0.059
null
null
null
null
null
1.089
null
null
has coordinates,has disorder
Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674
301,771
2025-08-18
12:22:44
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:21:50 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301771 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004001.cif $ #-------------------------------------------------------------------...
7,052,602
23.155
0.005
16.13
0.003
27.693
0.006
90
null
92.01
0.03
90
null
10,337
4
150
2
150
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C85 H81 Cl15 Fe6 N2 O26 -
- C85 H79 Cl15 Fe6 N2 O26 -
- C340 H316 Cl60 Fe24 N8 O104 -
4
0.5
Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H.
Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species
New Journal of Chemistry
2,011
35
4
842
10.1039/c0nj00621a
0.71073
MoKα
0.1233
0.0829
null
null
0.2224
0.2623
null
null
null
null
null
1.099
null
null
has coordinates,has disorder
Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H. Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species New Journal of Chemistry 35(4) (2011) 842
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052602.cif $ #-------------------------------------------------------------------...
1,004,002
14.6107
0.0006
16.6282
0.0007
21.2344
0.0009
96.3869
0.0009
93.7166
0.001
92.1225
0.001
5,111
0.4
446
2
446
2
null
null
null
null
5
P -1
-P 1
2
Tungsten sulfide cluster with
octakis(mu!3$-sulfido)-hexakis(triphenylphophine) -hexa-tungsten-(benzene)solvate
- C114 H96 P6 S8 W6 -
- C114 H96 P6 S8 W6 -
- C228 H192 P12 S16 W12 -
2
1
Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.
Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds
Inorganic Chemistry
2,001
40
12
2666
2674
10.1021/ic001314q
0.71073
MoKα
0.0723
0.0368
null
null
0.0767
0.0881
null
null
null
null
null
0.957
null
null
has coordinates,has disorder
Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674
176,428
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004002.cif $ #-------------------------------------------------------------------...
1,004,003
13.9117
0.0001
13.9117
0.0001
32.4106
0.0002
90
null
90
null
120
null
5,432.23
0.06
163
2
163
2
null
null
null
null
?
7
R -3 :H
-R 3
148
- C44 H90 F6 O2 P7 S8 W6 -
- C44.04 H90 F5.96 O1.98 P7 S8 W6 -
- C132.12 H270 F17.88 O5.94 P21 S24 W18 -
3
0.166667
Laurie I. Hill; Song Jin; Ran Zhou; D. Venkataraman; Francis J. DiSalvo
Synthesis and Characterization of Oxidized W6S8L6 Clusters
Inorganic Chemistry
2,001
40
2660
2665
10.1021/ic001099d
0.71073
MoKα
0.0539
0.0451
null
0.0774
0.0755
null
null
null
2.052
2.105
2.105
null
null
null
has coordinates,has disorder
Laurie I. Hill; Song Jin; Ran Zhou; D. Venkataraman; Francis J. DiSalvo Synthesis and Characterization of Oxidized W6S8L6 Clusters Inorganic Chemistry 40 (2001) 2660-2665
134,621
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-04-02 14:22:18 +0300 (Thu, 02 Apr 2015) $ #$Revision: 134621 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004003.cif $ #-------------------------------------------------------------------...
1,004,004
14.8105
0.0013
18.5419
0.0017
25.108
0.002
90
null
104.284
0.002
90
null
6,681.8
1
173
2
173
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
Tungsten sulfide cluster with
octakis(mu!3$-sulfido)-hexakis(morpholine) -hexa-tungsten-1.3(morpholine)-3.7(aniline)
- C51.5 H91.5 N11 O7.25 S8 W6 -
- C51.416 H91.584 N11 O7.292 S8 W6 -
- C205.664 H366.336 N44 O29.168 S32 W24 -
4
0.5
Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.
Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds
Inorganic Chemistry
2,001
40
12
2666
2674
10.1021/ic001314q
0.71073
MoKα
0.0389
0.0304
null
null
0.0595
0.0613
null
null
null
null
null
1.216
null
null
has coordinates,has disorder
Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674
176,429
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004004.cif $ #-------------------------------------------------------------------...
1,004,005
12.1751
0.0006
12.5456
0.0006
12.7678
0.0006
111.532
0.0011
110.339
0.0011
93.1387
0.0011
1,663.41
0.14
173
2
173
2
null
null
null
null
5
P -1
-P 1
2
Tungsten Sulfide cluster
octakis(μ~3~-sulfido)-hexakis(tert-butylisocyanide)-hexa-tungsten tetrakis(benzene) solvate
- C54 H78 N6 S8 W6 -
- C54 H78 N6 S8 W6 -
- C54 H78 N6 S8 W6 -
1
0.5
Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.
Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds
Inorganic Chemistry
2,001
40
12
2666
2674
10.1021/ic001314q
0.71073
MoKα
0.0693
0.0412
null
null
0.0823
0.091
null
null
null
null
null
0.993
null
null
has coordinates
Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674
209,502
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-08-09 14:59:48 +0300 (Thu, 09 Aug 2018) $ #$Revision: 209502 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004005.cif $ #-------------------------------------------------------------------...
1,004,006
3.7824
0.0005
3.7824
0.0005
19.244
0.004
90
null
90
null
90
null
275.32
0.08
164
2
164
2
null
null
null
null
3
I 4/m m m
-I 4 2
139
Nickel Antimonide Telluride
- Ni5.66 Sb Te2 -
- Ni5.66 Sb Te2 -
- Ni11.32 Sb2 Te4 -
2
0.0625
Reynolds, Thomas K.; Bales, Joshua G.; DiSalvo, Francis J.
Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni~7-δ~SbX~2~ (δ ≈ 1.3; X = Se or Te)
Chemistry of Materials
2,002
14
11
4746
4751
10.1021/cm020585r
0.71073
MoKα
0.0229
0.0225
null
null
0.0537
0.0541
null
null
null
null
null
1.052
4,000,202
null
has coordinates
Reynolds, Thomas K.; Bales, Joshua G.; DiSalvo, Francis J. Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni~7-δ~SbX~2~ (δ ≈ 1.3; X = Se or Te) Chemistry of Materials 14(11) (2002) 4746-4751
178,245
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-18 00:22:35 +0200 (Fri, 18 Mar 2016) $ #$Revision: 178245 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004006.cif $ #-------------------------------------------------------------------...
7,052,601
9.6137
0.0006
12.1476
0.0007
12.7323
0.0008
82.799
0.005
80.978
0.005
78.045
0.005
1,430.02
0.15
100
2
100
2
null
null
null
null
6
P -1
-P 1
2
- C32 H58 Cl6 Fe6 N2 O26 -
- C32 H56 Cl6 Fe6 N2 O26 -
- C32 H56 Cl6 Fe6 N2 O26 -
1
0.5
Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H.
Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species
New Journal of Chemistry
2,011
35
4
842
10.1039/c0nj00621a
0.71073
MoKα
0.0857
0.0417
null
null
0.0909
0.1073
null
null
null
null
null
0.969
null
null
has coordinates
Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H. Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species New Journal of Chemistry 35(4) (2011) 842
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052601.cif $ #-------------------------------------------------------------------...
1,004,007
23.1036
0.0004
20.8216
0.0003
11.497
null
90
null
99.703
0.001
90
null
5,451.46
0.12
173
2
173
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
Tungsten Sulfide cluster
octakis(μu~3~-sulfido)-hexakis(tert-butylamine)-hexa-tungsten tert-butylamine solvate
- C32 H88 N8 S8 W6 -
- C32 H88 N8 S8 W6 -
- C128 H352 N32 S32 W24 -
4
0.5
Song Jin; Ran Zhou; Ellen M. Scheuer; Jennifer Adamchuk; Lori L. Rayburn; Francis J. DiSalvo
Synthesis, Characterization, and Ligand Exchange Studies of W6S8L6 Cluster Compounds
Inorganic Chemistry
2,001
40
2666
2674
10.1021/ic001314q
0.71073
MoKα
0.0465
0.0325
null
0.0905
0.0747
null
null
null
1.061
0.969
0.969
null
null
null
has coordinates
Song Jin; Ran Zhou; Ellen M. Scheuer; Jennifer Adamchuk; Lori L. Rayburn; Francis J. DiSalvo Synthesis, Characterization, and Ligand Exchange Studies of W6S8L6 Cluster Compounds Inorganic Chemistry 40 (2001) 2666-2674
301,771
2025-08-18
12:22:44
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:21:50 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301771 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004007.cif $ #-------------------------------------------------------------------...
1,004,008
6.221
0.001
10.7702
0.0005
6.935
0.003
90
null
107.09
0.02
90
null
444.14
null
null
null
null
null
null
null
null
null
4
C 1 2 1
5
Copper(I) Chromium Hexaselenodiphosphate(IV)
- Cr Cu P2 Se6 -
- Cr Cu P2 Se6 -
- Cr2 Cu2 P4 Se12 -
2
0.5
Bourdon, X.; Maisonneuve, V.; Cajipe, V. B.; Payen, C.; Fischer, J. E.
Copper sublattice ordering in layered Cu M P~2~ Se~6~ (M = In, Cr)
Journal of Alloys and Compounds
1,999
283
1-2
122
127
10.1016/S0925-8388(98)00899-8
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bourdon, X.; Maisonneuve, V.; Cajipe, V. B.; Payen, C.; Fischer, J. E. Copper sublattice ordering in layered Cu M P~2~ Se~6~ (M = In, Cr) Journal of Alloys and Compounds 283(1-2) (1999) 122-127
176,429
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004008.cif $ #-------------------------------------------------------------------...
1,004,009
6.4024
0.0001
6.4024
0.0001
13.358
0.0004
90
null
90
null
120
null
474.2
null
null
null
null
null
null
null
null
null
4
P -3 1 c
163
Copper(I) Indium Hexaselenodiphosphate(IV)
- Cu In P2 Se6 -
- Cu In P2 Se6 -
- Cu2 In2 P4 Se12 -
2
0.166667
Bourdon, X.; Maisonneuve, V.; Cajipe, V. B.; Payen, C.; Fischer, J. E.
Copper sublattice ordering in layered Cu M P~2~ Se~6~ (M = In, Cr)
Journal of Alloys and Compounds
1,999
283
1-2
122
127
10.1016/S0925-8388(98)00899-8
null
0.118
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bourdon, X.; Maisonneuve, V.; Cajipe, V. B.; Payen, C.; Fischer, J. E. Copper sublattice ordering in layered Cu M P~2~ Se~6~ (M = In, Cr) Journal of Alloys and Compounds 283(1-2) (1999) 122-127
176,429
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004009.cif $ #-------------------------------------------------------------------...
1,004,010
7.898
0.001
5.514
0.001
12.672
0.003
90
null
103.69
0.02
90
null
536.182
null
null
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
catena-(1,6-Hexanediammonium (μ~2~-fluoro)-tetrafluoroaluminate)
- C6 H18 Al F5 N2 -
- C6 H18 Al2 F6 N2 -
- C12 H36 Al4 F12 N4 -
2
1
S.P.Thanh; J.Renaudin; V.Maisonneuve
Solid State Sciences
2,000
2
143
10.1016/S1293-2558(00)00125-4
null
null
0.056
null
null
0.056
null
null
null
null
null
null
null
null
null
has coordinates
S.P.Thanh; J.Renaudin; V.Maisonneuve Solid State Sciences 2 (2000) 143
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004010.cif $ #-------------------------------------------------------------------...
1,004,011
13.9117
0.0001
13.9117
0.0001
32.4106
0.0002
90
null
90
null
120
null
5,432.23
0.06
163
2
163
2
null
null
null
null
7
R -3 :H
-R 3
148
- C44 H90 F6 O2 P7 S8 W6 -
- C44.04 H90 F5.96 O1.98 P7 S8 W6 -
- C132.12 H270 F17.88 O5.94 P21 S24 W18 -
3
0.166667
Laurie I. Hill; Song Jin; Ran Zhou; D. Venkataraman; Francis J. DiSalvo
Synthesis and Characterization of Oxidized W6S8L6 Clusters
Inorganic Chemistry
2,001
40
2660
2665
10.1021/ic001099d
0.71073
MoKα
0.0539
0.0451
null
0.0774
0.0755
null
null
null
2.052
2.105
2.105
null
1,004,003
null
has coordinates,has disorder
Laurie I. Hill; Song Jin; Ran Zhou; D. Venkataraman; Francis J. DiSalvo Synthesis and Characterization of Oxidized W6S8L6 Clusters Inorganic Chemistry 40 (2001) 2660-2665
287,519
2023-11-10
19:29:20
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004011.cif $ #-------------------------------------------------------------------...
1,004,012
10.2935
0.0016
10.2935
0.0016
5.8619
0.0013
90
null
90
null
120
null
537.89
0.17
296
2
296
2
null
null
null
null
4
P 63
P 6c
173
La3CuGeS7
lanthanum copper germanium sulfide
- Cu Ge La3 S7 -
- Cu Ge La3 S7 -
- Cu2 Ge2 La6 S14 -
2
0.333333
Poduska, K. M.; DiSalvo, F. J.; Min, K.; Halasyamani, P. S.
Structure determination of La~3~CuGeS~7~ and La~3~CuGeSe~7~
Journal of Alloys and Compounds
2,002
335
L5
L9
10.1016/S0925-8388(01)01835-7
0.71073
MoKα
0.0477
0.0447
null
null
0.0949
0.0957
null
null
null
null
null
1.365
null
null
has coordinates
Poduska, K. M.; DiSalvo, F. J.; Min, K.; Halasyamani, P. S. Structure determination of La~3~CuGeS~7~ and La~3~CuGeSe~7~ Journal of Alloys and Compounds 335 (2002) L5-L9
176,428
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004012.cif $ #-------------------------------------------------------------------...
1,004,013
4.0698
0.0005
4.0698
0.0005
20.154
0.003
90
null
90
null
90
null
333.81
0.08
155
5
155
5
null
null
null
null
3
I 4/m m m
-I 4 2
139
Lanthanum three niobium two hexanitride
- La3 N6 Nb2 -
- La3 N6 Nb2 -
- La6 N12 Nb4 -
2
0.0625
Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J.
Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor
Journal of Solid State Chemistry
2,001
162
90
95
10.1006/jssc.2001.9359
0.71073
MoKα
0.0211
0.0204
null
null
0.0372
0.0373
null
null
null
null
null
1.35
null
null
has coordinates
Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J. Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor Journal of Solid State Chemistry 162 (2001) 90-95
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004013.cif $ #-------------------------------------------------------------------...
7,052,600
13.542
0.008
14.271
0.006
14.801
0.006
62.05
0.02
79.37
0.03
86.9
0.03
2,482
2
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
- C91 H98 Cl2 Fe6 N2 O26 -
- C91 H96 Cl2 Fe6 N2 O26 -
- C91 H96 Cl2 Fe6 N2 O26 -
1
0.5
Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H.
Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species
New Journal of Chemistry
2,011
35
4
842
10.1039/c0nj00621a
0.71073
MoKα
0.0804
0.0379
null
null
0.0737
0.082
null
null
null
null
null
0.869
null
null
has coordinates
Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H. Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species New Journal of Chemistry 35(4) (2011) 842
180,080
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180080 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/26/7052600.cif $ #-------------------------------------------------------------------...
1,004,014
4.0399
0.0006
4.0399
0.0006
20.185
0.004
90
null
90
null
90
null
329.44
0.1
155
5
293
2
null
null
null
null
3
I 4/m m m
-I 4 2
139
Lanthanum three tantalum two hexanitride
- La3 N6 Ta1.8 -
- La3 N6 Ta1.77 -
- La6 N12 Ta3.54 -
2
0.0625
Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J.
Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor
Journal of Solid State Chemistry
2,001
162
90
95
10.1006/jssc.2001.9359
0.71073
MoKα
0.0341
0.0243
null
null
0.0506
0.0671
null
null
null
null
null
1.189
null
null
has coordinates
Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J. Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor Journal of Solid State Chemistry 162 (2001) 90-95
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004014.cif $ #-------------------------------------------------------------------...
1,004,015
4.0674
0.0002
4.0674
0.0002
20.4506
0.001
90
null
90
null
90
null
338.33
0.03
293
2
293
2
null
null
null
null
3
I 4/m m m
-I 4 2
139
Lanthanum three tantalum two hexanitride
- La3 N6 Ta2 -
- La3 N6 Ta2 -
- La6 N12 Ta4 -
2
0.0625
Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J.
Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor
Journal of Solid State Chemistry
2,001
162
90
95
10.1006/jssc.2001.9359
0.71073
MoKα
0.0395
0.0364
null
null
0.064
0.0653
null
null
null
null
null
1.385
null
null
has coordinates
Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J. Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor Journal of Solid State Chemistry 162 (2001) 90-95
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004015.cif $ #-------------------------------------------------------------------...
1,004,016
8.131
0.003
9.258
0.005
18.084
0.007
90
null
90
null
90
null
1,361.31
null
null
null
null
null
null
null
null
null
4
P b c a
61
Strontium Hydrogenphosphate(V) - Gamma
- H O4 P Sr -
- H O4 P Sr -
- H16 O64 P16 Sr16 -
16
2
Ben Taher, L.; Smiri, L.; Laligant, Y.; Maisonneuve, V.
Investigation of th alkaline earth phosphates: synthesis and crystal structure of a new strontium hydrogen phosphate form
Journal of Solid State Chemistry
2,000
152
2
428
434
10.1006/jssc.2000.8700
null
0.039
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ben Taher, L.; Smiri, L.; Laligant, Y.; Maisonneuve, V. Investigation of th alkaline earth phosphates: synthesis and crystal structure of a new strontium hydrogen phosphate form Journal of Solid State Chemistry 152(2) (2000) 428-434
186,631
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-09-18 01:35:35 +0300 (Sun, 18 Sep 2016) $ #$Revision: 186631 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004016.cif $ #-------------------------------------------------------------------...
1,004,017
4.0451
0.0008
4.0451
0.0008
19.995
0.004
90
null
90
null
90
null
327.18
0.13
155
5
155
2
null
null
null
null
3
I 4/m m m
-I 4 2
139
Cerium three tantalum two hexanitride
- Ce3 N6 Ta1.97 -
- Ce3 N6 Ta1.968 -
- Ce6 N12 Ta3.936 -
2
0.0625
Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J.
Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor
Journal of Solid State Chemistry
2,001
162
90
95
10.1006/jssc.2001.9359
0.71073
MoKα
0.0264
0.0233
null
null
0.0444
0.0454
null
null
null
null
null
1.285
null
null
warnings
has coordinates
Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J. Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor Journal of Solid State Chemistry 162 (2001) 90-95
249,449
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2020-03-17 13:52:12 +0200 (Tue, 17 Mar 2020) $ #$Revision: 249449 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004017.cif $ #-------------------------------------------------------------------...
1,004,018
3.83
null
3.83
null
11.6
null
90
null
90
null
90
null
170.159
null
null
null
null
null
null
null
null
null
3
I 4/m m m
-I 4 2
139
Thulium copper oxide
- Cu O4 Tm2 -
- Cu O6 Tm2 -
- Cu2 O12 Tm4 -
2
0.0625
Bordet, P.; Capponi, J.-J.; Chaillout, C.; Chateigner, D.; Chenavas, J.; Fournier, T.; Hodeau, J.-L.; Marezio, M.; Perroux, M.; Thomas, G.; Varela, A.
High pressure synthesis and structural study of R2CuO4 compounds with R=Y,Tb,Dy,Ho,Er,Tm
Physica C
1,992
193
178
188
10.1016/0921-4534(92)90885-G
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bordet, P.; Capponi, J.-J.; Chaillout, C.; Chateigner, D.; Chenavas, J.; Fournier, T.; Hodeau, J.-L.; Marezio, M.; Perroux, M.; Thomas, G.; Varela, A. High pressure synthesis and structural study of R2CuO4 compounds with R=Y,Tb,Dy,Ho,Er,Tm Physica C 193 (1992) 178-188
189,900
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-05 17:45:31 +0200 (Thu, 05 Jan 2017) $ #$Revision: 189900 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004018.cif $ #-------------------------------------------------------------------...
1,004,019
9.57
0.01
6.99
0.01
12.2
0.01
90
null
90
null
90
null
816.1
null
null
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
AMMONIUM TETRATHIOMOLYBDATE
- H8 Mo N2 S4 -
- H8 Mo N2 S4 -
- H32 Mo4 N8 S16 -
4
0.5
Belougne, P; Chezeau, N; Lapasset, J
Nouvel affinement de la structure cristalline du thiomolybdate d'ammonium
Acta Crystallographica B (24,1968-38,1982)
1,976
32
3087
3088
10.1107/S056774087600959X
null
0.067
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Belougne, P; Chezeau, N; Lapasset, J Nouvel affinement de la structure cristalline du thiomolybdate d'ammonium Acta Crystallographica B (24,1968-38,1982) 32 (1976) 3087-3088
301,771
2025-08-18
12:22:44
#------------------------------------------------------------------------------ #$Date: 2025-08-18 15:21:50 +0300 (Mon, 18 Aug 2025) $ #$Revision: 301771 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004019.cif $ #-------------------------------------------------------------------...
7,052,599
15.039
0.007
12.809
0.006
14.218
0.006
90
null
90
null
90
null
2,739
2
100
2
100
2
null
null
null
null
4
P n a 21
P 2c -2n
33
- C32 H26 N8 O2 -
- C32 H26 N8 O2 -
- C128 H104 N32 O8 -
4
1
Costa, Roshinee; Schick, Andrew J.; Paul, Nathan B.; Durfee, William S.; Ziegler, Christopher J.
Hydroxybenziphthalocyanines: non-aromatic phthalocyanine analogues that exhibit strong UV-visible absorptions
New Journal of Chemistry
2,011
35
4
794
10.1039/c0nj00500b
0.71073
MoKα
0.069
0.0496
null
null
0.0992
0.108
null
null
null
null
null
1.025
null
null
has coordinates
Costa, Roshinee; Schick, Andrew J.; Paul, Nathan B.; Durfee, William S.; Ziegler, Christopher J. Hydroxybenziphthalocyanines: non-aromatic phthalocyanine analogues that exhibit strong UV-visible absorptions New Journal of Chemistry 35(4) (2011) 794
301,851
2025-08-21
20:32:41
#------------------------------------------------------------------------------ #$Date: 2025-08-21 23:04:39 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301851 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/25/7052599.cif $ #-------------------------------------------------------------------...
1,004,020
6
0.002
6
0.002
6
0.002
54.42
0.03
54.42
0.03
54.42
0.03
132.9
null
null
null
null
null
null
null
null
null
3
R -3 :R
-P 3*
148
Calcium trioxostannate
- Ca O3 Sn -
- Ca O3 Sn -
- Ca2 O6 Sn2 -
2
0.333333
Durand, B; Loiseleur, H
Crystal data for an ilmenite variety of calcium stannate Ca Sn O~3~
Journal of Applied Crystallography
1,978
11
289
290
null
0.092
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Durand, B; Loiseleur, H Crystal data for an ilmenite variety of calcium stannate Ca Sn O~3~ Journal of Applied Crystallography 11 (1978) 289-290
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004020.cif $ #-------------------------------------------------------------------...
1,004,021
5.74
0.001
5.74
0.001
5.74
0.001
55.65
0.02
55.65
0.02
55.65
0.02
120.2
null
null
null
null
null
null
null
null
null
3
R -3 :R
-P 3*
148
Manganese tin(IV) oxide
- Mn O3 Sn -
- Mn O3 Sn -
- Mn2 O6 Sn2 -
2
0.333333
Durand, B; Diot, M; Mollard, P
Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~
Annales de Chimie (Paris) (Vol=Year)
1,979
1,979
559
607
null
0.018
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Durand, B; Diot, M; Mollard, P Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~ Annales de Chimie (Paris) (Vol=Year) 1979 (1979) 559-607
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004021.cif $ #-------------------------------------------------------------------...
1,004,022
6
0.002
6
0.002
6
0.002
54.42
0.03
54.42
0.03
54.42
0.03
132.9
null
null
null
null
null
null
null
null
null
3
R -3 :R
-P 3*
148
Calcium tin(IV) oxide
- Ca O3 Sn -
- Ca O3 Sn -
- Ca2 O6 Sn2 -
2
0.333333
Durand, B; Diot, M; Mollard, P
Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~
Annales de Chimie (Paris) (Vol=Year)
1,979
1,979
559
607
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Durand, B; Diot, M; Mollard, P Preparation et characterisation de la variete ilmenite des stannates de manganese Mn Sn O~3~ et de calcium Ca Sn O~3~ Annales de Chimie (Paris) (Vol=Year) 1979 (1979) 559-607
176,729
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004022.cif $ #-------------------------------------------------------------------...
1,004,023
8.729
0.002
7.4752
0.0007
11.049
0.006
90
null
92.42
0.01
90
null
720.3
null
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
Potassium lanthanum chromate
- Cr2 K La O8 -
- Cr2 K La O8 -
- Cr8 K4 La4 O32 -
4
1
Bueno, I; Parada, C; Garcia, O; Puebla, E G; Monge, A; Valero, C R
Crystal growth, structure, and properties of K La (Cr O~4~)~2~
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)
1,988
1,988
1911
1914
null
0.024
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bueno, I; Parada, C; Garcia, O; Puebla, E G; Monge, A; Valero, C R Crystal growth, structure, and properties of K La (Cr O~4~)~2~ Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1988 (1988) 1911-1914
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004023.cif $ #-------------------------------------------------------------------...
1,004,024
6.3245
0.0001
7.5422
0.0001
11.0095
0.0002
90
null
90.12
0.02
90
null
525.2
null
null
null
null
null
null
null
null
null
5
P 1 21/m 1
-P 2yb
11
Diammonium oxotetrafluorotitanate
- F4 H8 N2 O Ti -
- F4 H13 N2 O Ti -
- F16 H52 N8 O4 Ti4 -
4
1
Patarin, J; Marcuccilli-Hoffner, F; Kessler, H; Daniels, P
Synthesis and structure determination of (N H4)2 Ti F4 O
European Journal of Solid State Inorganic Chemistry
1,994
31
501
511
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Patarin, J; Marcuccilli-Hoffner, F; Kessler, H; Daniels, P Synthesis and structure determination of (N H4)2 Ti F4 O European Journal of Solid State Inorganic Chemistry 31 (1994) 501-511
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004024.cif $ #-------------------------------------------------------------------...
7,052,598
7.6457
0.0016
9.891
0.002
15.431
0.003
97.881
0.003
101.751
0.003
93.578
0.003
1,126.8
0.4
100
2
100
2
null
null
null
null
4
P -1
-P 1
2
- C24 H25.4 N6 O2.7 -
- C24 H24 N6 O2 -
- C48 H48 N12 O4 -
2
1
Costa, Roshinee; Schick, Andrew J.; Paul, Nathan B.; Durfee, William S.; Ziegler, Christopher J.
Hydroxybenziphthalocyanines: non-aromatic phthalocyanine analogues that exhibit strong UV-visible absorptions
New Journal of Chemistry
2,011
35
4
794
10.1039/c0nj00500b
0.71073
MoKα
0.0611
0.051
null
null
0.1443
0.1511
null
null
null
null
null
1.095
null
null
has coordinates
Costa, Roshinee; Schick, Andrew J.; Paul, Nathan B.; Durfee, William S.; Ziegler, Christopher J. Hydroxybenziphthalocyanines: non-aromatic phthalocyanine analogues that exhibit strong UV-visible absorptions New Journal of Chemistry 35(4) (2011) 794
202,017
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $ #$Revision: 202017 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/25/7052598.cif $ #-------------------------------------------------------------------...
1,004,025
12.645
0.0007
10.8477
0.0005
14.6311
0.0004
90
null
98.793
0.005
90
null
1,983.3
null
null
null
null
null
null
null
null
null
6
C 1 c 1
C -2yc
9
Octakis(dimethylammonium) octakis(hydrogenphosphato(V))octakis(dihydrogenphosphato(V))octazincate tetrahydrate
- C16 H96 N8 O68 P16 Zn8 -
- C16 H96 N8 O68 P16 Zn8 -
- C16 H96 N8 O68 P16 Zn8 -
1
0.25
Reinert, P.; Zabukovec Logar, N.; Patarin, J.; Kaucic, V.
Synthesis and structure of [Zn~8~(HPO~4~)~8~(H~2~PO~4~)~8~] · [(C~2~H~8~N)~8~] · 4H~2~O
European Journal of Solid State and Inorganic Chemistry
1,998
35
4-5
373
387
10.1016/S0992-4361(98)80433-5
null
0.062
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Reinert, P.; Zabukovec Logar, N.; Patarin, J.; Kaucic, V. Synthesis and structure of [Zn~8~(HPO~4~)~8~(H~2~PO~4~)~8~] · [(C~2~H~8~N)~8~] · 4H~2~O European Journal of Solid State and Inorganic Chemistry 35(4-5) (1998) 373-387
205,545
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-24 12:43:27 +0200 (Wed, 24 Jan 2018) $ #$Revision: 205545 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004025.cif $ #-------------------------------------------------------------------...
1,004,026
6.64025
0.00003
6.64025
0.00003
5.92625
0.00006
90
null
90
null
90
null
261.3
null
null
null
null
null
null
null
null
null
5
I 41/a m d :2
-I 4bd 2
141
Zirconium silicate hydroxide fluoride (1/0.31/0.98/1.8)
- F1.8 H0.98 O2.2 Si0.305 Zr -
- F1.8 H0.245 O2.2 Si0.305 Zr -
- F7.2 H0.98 O8.8 Si1.22 Zr4 -
4
0.125
Valéro, R.; Paillaud, J. L.; Durand, B.; Guth, J. L.; Chopin, T.
Rietveld refinement of two fluoro-hydroxy-zircons
European Journal of Solid State and Inorganic Chemistry
1,998
35
10-11
735
743
10.1016/S0992-4361(99)80013-7
null
0.018
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Valéro, R.; Paillaud, J. L.; Durand, B.; Guth, J. L.; Chopin, T. Rietveld refinement of two fluoro-hydroxy-zircons European Journal of Solid State and Inorganic Chemistry 35(10-11) (1998) 735-743
282,478
2023-04-06
12:32:03
#------------------------------------------------------------------------------ #$Date: 2023-04-06 15:31:51 +0300 (Thu, 06 Apr 2023) $ #$Revision: 282478 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004026.cif $ #-------------------------------------------------------------------...
1,004,027
6.64821
0.00002
6.64821
0.00002
5.90758
0.00004
90
null
90
null
90
null
261.1
null
null
null
null
null
null
null
null
null
5
I 41/a m d :2
-I 4bd 2
141
Zirconium silicate hydroxide fluoride (1/0.21/1.38/1.8)
- F1.8 H1.376 O2.2 Si0.206 Zr -
- F1.8 H0.344 O2.2 Si0.206 Zr -
- F7.2 H1.376 O8.8 Si0.824 Zr4 -
4
0.125
Valéro, R.; Paillaud, J. L.; Durand, B.; Guth, J. L.; Chopin, T.
Rietveld refinement of two fluoro-hydroxy-zircons
European Journal of Solid State and Inorganic Chemistry
1,998
35
10-11
735
743
10.1016/S0992-4361(99)80013-7
null
0.033
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Valéro, R.; Paillaud, J. L.; Durand, B.; Guth, J. L.; Chopin, T. Rietveld refinement of two fluoro-hydroxy-zircons European Journal of Solid State and Inorganic Chemistry 35(10-11) (1998) 735-743
282,478
2023-04-06
12:32:03
#------------------------------------------------------------------------------ #$Date: 2023-04-06 15:31:51 +0300 (Thu, 06 Apr 2023) $ #$Revision: 282478 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004027.cif $ #-------------------------------------------------------------------...
1,004,028
9.848
0.02
12.47
0.032
12.603
0.028
63.47
0.16
74.56
0.16
76.03
0.17
1,321.2
5.2
293
2
293
2
null
null
null
null
?
7
P -1
-P 1
2
- C10 H30 Co4 Ga6 N4 O41 P10 -
- C10 Co4.56 Ga5.44 N4 O41 P10 -
- C10 Co4.56 Ga5.44 N4 O41 P10 -
1
0.5
Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J.; Rouleau, L.
Synthesis and crystal structure of IM-6, a new open framework cobalt-gallium phosphate with 10- and 12-membered pore openings
Chemistry - A European Journal
2,003
9
4
856
861
10.1002/chem.200390095
1.54178
CuKα
0.1169
0.0629
null
0.1872
0.1535
null
null
null
1.001
1.073
1.073
null
null
null
has coordinates
Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J.; Rouleau, L. Synthesis and crystal structure of IM-6, a new open framework cobalt-gallium phosphate with 10- and 12-membered pore openings Chemistry - A European Journal 9(4) (2003) 856-861
176,428
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004028.cif $ #-------------------------------------------------------------------...
7,052,597
11.751
0.003
12.885
0.003
13.632
0.003
114.123
0.003
100.136
0.004
97.33
0.004
1,808.1
0.7
100
2
100
2
null
null
null
null
4
P -1
-P 1
2
- C45 H34 N10 O2 -
- C45 H34 N10 O2 -
- C90 H68 N20 O4 -
2
1
Costa, Roshinee; Schick, Andrew J.; Paul, Nathan B.; Durfee, William S.; Ziegler, Christopher J.
Hydroxybenziphthalocyanines: non-aromatic phthalocyanine analogues that exhibit strong UV-visible absorptions
New Journal of Chemistry
2,011
35
4
794
10.1039/c0nj00500b
0.71073
MoKα
0.0889
0.0639
null
null
0.1693
0.1871
null
null
null
null
null
1.065
null
null
has coordinates
Costa, Roshinee; Schick, Andrew J.; Paul, Nathan B.; Durfee, William S.; Ziegler, Christopher J. Hydroxybenziphthalocyanines: non-aromatic phthalocyanine analogues that exhibit strong UV-visible absorptions New Journal of Chemistry 35(4) (2011) 794
301,851
2025-08-21
20:32:41
#------------------------------------------------------------------------------ #$Date: 2025-08-21 23:04:39 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301851 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/05/25/7052597.cif $ #-------------------------------------------------------------------...
1,004,029
18.035
0.018
10.513
0.011
14.293
0.011
90
null
90
null
90
null
2,710
4.4
293
2
293
2
null
null
null
null
6
A b a 2
A 2 -2ab
41
- C5 H16 Ga6 N2 O27 P6 -
- C5 H16 Ga6 N2 O27 P6 -
- C20 H64 Ga24 N8 O108 P24 -
4
null
Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.
Synthesis and characterization of the new hydroxygallophosphate Mu-18 with a framework topology closely related to that of the hydroxyaluminophosphate AlPO~4^-^~EN3
Chemistry of Materials
2,001
13
4
1305
1311
10.1021/cm001199h
1.54178
CuKα
0.0366
0.0364
null
0.1045
0.1041
null
null
null
1.094
1.095
1.095
null
null
null
has coordinates
Josien, L.; Simon, A.; Gramlich, V.; Patarin, J. Synthesis and characterization of the new hydroxygallophosphate Mu-18 with a framework topology closely related to that of the hydroxyaluminophosphate AlPO~4^-^~EN3 Chemistry of Materials 13(4) (2001) 1305-1311
178,246
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-18 00:31:34 +0200 (Fri, 18 Mar 2016) $ #$Revision: 178246 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/40/1004029.cif $ #-------------------------------------------------------------------...