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float64
b
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c
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sigc
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alpha
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sigalpha
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beta
float64
sigbeta
float64
gamma
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siggamma
float64
vol
float64
sigvol
float64
celltemp
float64
sigcelltemp
float64
diffrtemp
float64
sigdiffrtemp
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cellpressure
float64
sigcellpressure
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diffrpressure
float64
sigdiffrpressure
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thermalhist
string
pressurehist
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compoundsource
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nel
string
sg
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sgHall
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sgNumber
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commonname
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chemname
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mineral
string
formula
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calcformula
string
cellformula
string
Z
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Zprime
float64
acce_code
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authors
string
title
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journal
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year
int64
volume
int64
issue
string
firstpage
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lastpage
string
doi
string
method
string
radiation
string
wavelength
float64
radType
string
radSymbol
string
Rall
float64
Robs
float64
Rref
float64
wRall
float64
wRobs
float64
wRref
float64
RFsqd
float64
RI
float64
gofall
float64
gofobs
float64
gofgt
float64
gofref
float64
duplicateof
int64
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1,008,193
10.53
null
10.44
null
6.9
null
90
null
90
null
90
null
758.5
null
null
null
null
null
null
null
null
null
4
F d d 2 S
43
Potassium dihydrogen phosphate
- H2 K O4 P -
- H2 K O4 P -
- H16 K8 O32 P8 -
8
null
Peterson, S W; Levy, H A; Simonsen, S H
Neutron diffraction study of the ferroelectric modification of potassium dihydrogen phosphate
Physical Review (1,1893-132,1963/141,1966-188,1969)
1,954
93
1120
1121
null
0.059
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Peterson, S W; Levy, H A; Simonsen, S H Neutron diffraction study of the ferroelectric modification of potassium dihydrogen phosphate Physical Review (1,1893-132,1963/141,1966-188,1969) 93 (1954) 1120-1121
277,832
2022-09-14
15:07:16
#------------------------------------------------------------------------------ #$Date: 2022-09-14 18:07:06 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277832 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/81/1008193.cif $ #-------------------------------------------------------------------...
1,008,194
10.688
0.002
10.688
0.002
10.688
0.002
90
null
90
null
90
null
1,220.9
null
null
null
null
null
null
null
null
null
4
P n -3 n :2
-P 4a 2bc 3
222
Cadmium tetrayttrium trimolybdenum oxide
- Cd Mo3 O16 Y4 -
- Cd Mo3 O16 Y4 -
- Cd4 Mo12 O64 Y16 -
4
0.083333
Bourdet, J B; Chevalier, R; Fournier, J P; Kohlmuller, R; Omaly, J
A structural study of cadmium yttrium molybdate Cd Y~4~ Mo~3~ O~16~
Acta Crystallographica B (24,1968-38,1982)
1,982
38
2371
2374
10.1107/S0567740882008826
null
0.04
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bourdet, J B; Chevalier, R; Fournier, J P; Kohlmuller, R; Omaly, J A structural study of cadmium yttrium molybdate Cd Y~4~ Mo~3~ O~16~ Acta Crystallographica B (24,1968-38,1982) 38 (1982) 2371-2374
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/1/00/81/1008194.cif $ #-------------------------------------------------------------------...
1,008,195
5.552
0.001
7.126
0.001
32.233
0.006
66.94
0.01
57.08
0.01
108.51
0.02
716
null
null
null
null
null
null
null
null
null
2
I -1
-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
2
TITANIUM OXIDE (6/11)
- O11 Ti6 -
- O11 Ti6 -
- O44 Ti24 -
4
null
le Page, Y; Strobel, P
Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9
Journal of Solid State Chemistry
1,982
44
273
281
10.1016/0022-4596(82)90374-7
null
0.039
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
le Page, Y; Strobel, P Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9 Journal of Solid State Chemistry 44 (1982) 273-281
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/1/00/81/1008195.cif $ #-------------------------------------------------------------------...
1,008,196
5.537
0.001
7.132
0.001
38.151
0.008
66.7
0.01
57.12
0.01
108.5
0.02
841.4
null
null
null
null
null
null
null
null
null
2
I -1
-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
2
TITANIUM OXIDE (7/13)
- O13 Ti7 -
- O13 Ti7 -
- O52 Ti28 -
4
null
le Page, Y; Strobel, P
Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9
Journal of Solid State Chemistry
1,982
44
273
281
10.1016/0022-4596(82)90374-7
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
le Page, Y; Strobel, P Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9 Journal of Solid State Chemistry 44 (1982) 273-281
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/1/00/81/1008196.cif $ #-------------------------------------------------------------------...
1,008,197
5.526
0.001
7.133
0.001
44.059
0.006
66.54
0.01
57.18
0.01
108.51
0.01
966.9
null
null
null
null
null
null
null
null
null
2
I -1
-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
2
TITANIUM OXIDE (8/15)
- O15 Ti8 -
- O15 Ti8 -
- O60 Ti32 -
4
null
le Page, Y; Strobel, P
Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9
Journal of Solid State Chemistry
1,982
44
273
281
10.1016/0022-4596(82)90374-7
null
0.03
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
le Page, Y; Strobel, P Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9 Journal of Solid State Chemistry 44 (1982) 273-281
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/1/00/81/1008197.cif $ #-------------------------------------------------------------------...
7,015,556
8.8351
0.0002
10.3766
0.0002
13.2958
0.0004
73.239
0.001
84.423
0.001
85.728
0.001
1,160.24
0.05
100
2
100
2
null
null
null
null
8
P -1
-P 1
2
- C16 H20 B Cl2 Ir N6 O2 S2 -
- C16 H20 B Cl2 Ir N6 O2 S2 -
- C32 H40 B2 Cl4 Ir2 N12 O4 S4 -
2
1
López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy
Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4647
4659
10.1039/c0dt01718c
0.71073
MoKα
0.0479
0.0388
null
null
0.0749
0.0785
null
null
null
null
null
1.162
null
null
has coordinates
López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy Potassium S2N-heteroscorpionates: structure and iridaboratrane formation. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4647-4659
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015556.cif $ #-------------------------------------------------------------------...
1,008,198
5.524
0.001
7.142
0.001
50.03
0.01
66.41
0.01
57.2
0.01
108.53
0.01
1,094.7
null
null
null
null
null
null
null
null
null
2
I -1
-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
2
TITANIUM OXIDE (9/17)
- O17 Ti9 -
- O17 Ti9 -
- O68 Ti36 -
4
null
le Page, Y; Strobel, P
Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9
Journal of Solid State Chemistry
1,982
44
273
281
10.1016/0022-4596(82)90374-7
null
0.025
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
le Page, Y; Strobel, P Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9 Journal of Solid State Chemistry 44 (1982) 273-281
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/1/00/81/1008198.cif $ #-------------------------------------------------------------------...
1,008,199
5.2889
0.0002
9.1872
0.0003
10.026
0.0003
90
null
100.348
0.002
90
null
479.2
null
null
null
null
null
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
Lithium trioxostannate
- Li2 O3 Sn -
- Li1.804 O3 Sn -
- Li14.432 O24 Sn8 -
8
1
Hodeau, J L; Marezio, M; Santoro, A; Roth, R S
Neutron Profile Refinement of the Structures of Li~2~ Sn O~3~ and Li~2~ Zr O~3~
Journal of Solid State Chemistry
1,982
45
170
179
10.1016/0022-4596(82)90273-0
null
0.0527
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hodeau, J L; Marezio, M; Santoro, A; Roth, R S Neutron Profile Refinement of the Structures of Li~2~ Sn O~3~ and Li~2~ Zr O~3~ Journal of Solid State Chemistry 45 (1982) 170-179
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/1/00/81/1008199.cif $ #-------------------------------------------------------------------...
1,008,200
5.4218
0.0002
9.0216
0.0004
5.4187
0.0002
90
null
112.709
0.002
90
null
244.5
null
null
null
null
null
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
Lithium zirconate
- Li2 O3 Zr -
- Li1.82 O3 Zr -
- Li7.28 O12 Zr4 -
4
0.5
Hodeau, J L; Marezio, M; Santoro, A; Roth, R S
Neutron Profile Refinement of the Structures of Li~2~ Sn O~3~ and Li~2~ Zr O~3~
Journal of Solid State Chemistry
1,982
45
170
179
10.1016/0022-4596(82)90273-0
null
0.0501
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hodeau, J L; Marezio, M; Santoro, A; Roth, R S Neutron Profile Refinement of the Structures of Li~2~ Sn O~3~ and Li~2~ Zr O~3~ Journal of Solid State Chemistry 45 (1982) 170-179
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/1/00/82/1008200.cif $ #-------------------------------------------------------------------...
1,008,201
7.517
0.001
11.986
0.002
13.397
0.002
98.29
0.01
105.52
0.01
107.79
0.01
1,073.3
null
null
null
null
null
null
null
null
null
2
P -1
-P 1
2
Titanium oxide (6/11)
- O11 Ti6 -
- O11 Ti6 -
- O66 Ti36 -
6
3
le Page, Y; Strobel, P
Structural Chemistry of Magneli Phases Ti~n~O~2n-1~ (4<=n<=9). III.Valence Ordering of Titanium in Ti~6~ O~11~ at 130K
Journal of Solid State Chemistry
1,983
47
6
15
10.1016/0022-4596(83)90034-8
null
0.052
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
le Page, Y; Strobel, P Structural Chemistry of Magneli Phases Ti~n~O~2n-1~ (4<=n<=9). III.Valence Ordering of Titanium in Ti~6~ O~11~ at 130K Journal of Solid State Chemistry 47 (1983) 6-15
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/1/00/82/1008201.cif $ #-------------------------------------------------------------------...
1,008,202
11.16
null
11.16
null
17.86
null
90
null
90
null
120
null
1,926.4
null
null
null
null
null
null
null
null
null
5
R -3 :H
-R 3
148
Hexaammonium cyclo-triphosphate telluric acid
- H30 N6 O24 P6 Te -
- H30 N6 O24 P6 Te -
- H90 N18 O72 P18 Te3 -
3
0.166667
Boudjada, N; Boudjada, A; Guitel, J C
Structure du Trimetaphosphate-Tellurate d'Ammonium, 2(N H~4~)~3~ P~3~ O~9~ * Te (O H)~6~
Acta Crystallographica C (39,1983-)
1,983
39
656
658
null
0.019
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boudjada, N; Boudjada, A; Guitel, J C Structure du Trimetaphosphate-Tellurate d'Ammonium, 2(N H~4~)~3~ P~3~ O~9~ * Te (O H)~6~ Acta Crystallographica C (39,1983-) 39 (1983) 656-658
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/82/1008202.cif $ #-------------------------------------------------------------------...
1,008,203
11.031
0.0005
11.031
0.0005
11.031
0.0005
90
null
90
null
90
null
1,342.3
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Nickel manganese phosphide (16/6/7)
- Mn6 Ni16 P7 -
- Mn6 Ni16 P7 -
- Mn24 Ni64 P28 -
4
0.020833
Chaudouet, P; Madar, R; Fruchart, R
Etude de nouveaux pnictures ternaires de metaux de transition isostructuraux des phases G, Ni~16~ Mn~6~ P~7~, Ni~16~ Mn~6~ As~7~
Materials Research Bulletin
1,983
18
713
719
10.1016/0025-5408(83)90098-3
null
0.093
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chaudouet, P; Madar, R; Fruchart, R Etude de nouveaux pnictures ternaires de metaux de transition isostructuraux des phases G, Ni~16~ Mn~6~ P~7~, Ni~16~ Mn~6~ As~7~ Materials Research Bulletin 18 (1983) 713-719
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/1/00/82/1008203.cif $ #-------------------------------------------------------------------...
7,015,555
15.2566
0.0002
9.7542
0.0002
17.7813
0.0003
90
null
93.701
0.001
90
null
2,640.62
0.08
100
2
100
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C22 H32 B Cl2 Ir N6 S2 -
- C22 H32 B Cl2 Ir N6 S2 -
- C88 H128 B4 Cl8 Ir4 N24 S8 -
4
1
López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy
Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4647
4659
10.1039/c0dt01718c
0.71073
MoKα
0.0302
0.0235
null
null
0.0476
0.0495
null
null
null
null
null
1.06
null
null
has coordinates,has disorder
López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy Potassium S2N-heteroscorpionates: structure and iridaboratrane formation. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4647-4659
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015555.cif $ #-------------------------------------------------------------------...
1,008,204
8.698
0.002
4.127
0.001
10.412
0.002
90
null
90
null
90
null
373.8
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
Antimony selenide iodide
- I Sb Se -
- I Sb Se -
- I4 Sb4 Se4 -
4
0.5
Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E; Maurin, M
Sur les Chalcogeno-iodures d'antimoine SbXI (X=S,Se,Te):Structures et spectroscopie Moessbauer de ^121^Sb
Journal of Solid State Chemistry
1,983
48
272
283
10.1016/0022-4596(83)90082-8
null
0.021
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E; Maurin, M Sur les Chalcogeno-iodures d'antimoine SbXI (X=S,Se,Te):Structures et spectroscopie Moessbauer de ^121^Sb Journal of Solid State Chemistry 48 (1983) 272-283
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/1/00/82/1008204.cif $ #-------------------------------------------------------------------...
1,008,205
7.57
0.003
7.159
0.003
4.228
0.003
107.22
0.05
106.18
0.04
77.19
0.03
207.8
null
null
null
null
null
null
null
null
null
3
P -1
-P 1
2
Antimony telluride iodide
- I Sb Te -
- I Sb Te -
- I2 Sb2 Te2 -
2
1
Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E; Maurin, M
Sur les Chalcogeno-iodures d'antimoine SbXI (X=S,Se,Te):Structures et spectroscopie Moessbauer de ^121^Sb
Journal of Solid State Chemistry
1,983
48
272
283
10.1016/0022-4596(83)90082-8
null
0.035
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E; Maurin, M Sur les Chalcogeno-iodures d'antimoine SbXI (X=S,Se,Te):Structures et spectroscopie Moessbauer de ^121^Sb Journal of Solid State Chemistry 48 (1983) 272-283
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/1/00/82/1008205.cif $ #-------------------------------------------------------------------...
1,008,206
14.22
0.01
6.696
0.003
8.672
0.005
90
null
90
null
90
null
825.7
null
null
null
null
null
null
null
null
null
5
P c 21 n
P -2n -2ac
33
Potassium iodate telluric acid
- H6 I K O9 Te -
- H6 I K O9 Te -
- H24 I4 K4 O36 Te4 -
4
1
Averbuch-Pouchot, M. T.
Crystal Chemistry of Some Addition Compounds of Alkali Iodates with Telluric Acid
Journal of Solid State Chemistry
1,983
49
368
378
10.1016/S0022-4596(83)80015-2
null
0.047
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M. T. Crystal Chemistry of Some Addition Compounds of Alkali Iodates with Telluric Acid Journal of Solid State Chemistry 49 (1983) 368-378
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/82/1008206.cif $ #-------------------------------------------------------------------...
1,008,207
10.97
0.01
6.916
0.005
6.55
0.004
88.84
0.05
90.81
0.05
104.48
0.05
481
null
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
Ammonium iodate telluric acid
- H12 I N O10 Te -
- H12 I N O10 Te -
- H24 I2 N2 O20 Te2 -
2
1
Averbuch-Pouchot, M T
Crystal Chemistry of Some Addition Compounds of Alkali Iodates with Telluric Acid
Journal of Solid State Chemistry
1,983
49
368
378
10.1016/S0022-4596(83)80015-2
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T Crystal Chemistry of Some Addition Compounds of Alkali Iodates with Telluric Acid Journal of Solid State Chemistry 49 (1983) 368-378
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/82/1008207.cif $ #-------------------------------------------------------------------...
1,008,208
6.482
0.005
6.482
0.005
25.664
0.008
90
null
90
null
120
null
933.8
null
null
null
null
null
null
null
null
null
5
R -3 :H
-R 3
148
Bis(potassium iodate) telluric acid
- H6 I2 K2 O12 Te -
- H6 I2 K2 O12 Te -
- H18 I6 K6 O36 Te3 -
3
0.166667
Averbuch-Pouchot, M T
Crystal Chemistry of Some Addition Compounds of Alkali Iodates with Telluric Acid
Journal of Solid State Chemistry
1,983
49
368
378
10.1016/S0022-4596(83)80015-2
null
0.035
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T Crystal Chemistry of Some Addition Compounds of Alkali Iodates with Telluric Acid Journal of Solid State Chemistry 49 (1983) 368-378
301,771
2025-08-18
12:22:45
#------------------------------------------------------------------------------ #$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/1/00/82/1008208.cif $ #-------------------------------------------------------------------...
7,015,554
16.7702
0.0004
11.5282
0.0003
18.6564
0.0003
90
null
90
null
90
null
3,606.85
0.14
120
2
120
2
null
null
null
null
6
P b c n
-P 2n 2ab
60
- C13 H16 B K N8 S -
- C13 H16 B K N8 S -
- C104 H128 B8 K8 N64 S8 -
8
1
López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy
Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4647
4659
10.1039/c0dt01718c
0.71073
MoKα
0.0522
0.0418
null
null
0.0907
0.0975
null
null
null
null
null
1.065
null
null
has coordinates
López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy Potassium S2N-heteroscorpionates: structure and iridaboratrane formation. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4647-4659
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015554.cif $ #-------------------------------------------------------------------...
1,008,209
11.5
0.005
13.877
0.005
7.236
0.005
90
null
90
null
90
null
1,154.8
null
null
null
null
null
null
null
null
null
5
C m c 21
C 2c -2
36
Potassium trifluorobis(nitrato)antimonate(III) nitrate
- F3 K3 N3 O9 Sb -
- F3 K3 N3 O9 Sb -
- F12 K12 N12 O36 Sb4 -
4
0.5
Bourgault, M; Ducourant, B; Fourcade, R
Sur un nouveau compose doubleur de frequence, synthese, et structure du nitrate-bis-nitratotrifluoroantimonate de potassium K~2~ Sb F~3~ (N O~3~)~2~ * K N O~3~
Journal of Solid State Chemistry
1,983
50
79
85
10.1016/0022-4596(83)90234-7
null
0.045
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bourgault, M; Ducourant, B; Fourcade, R Sur un nouveau compose doubleur de frequence, synthese, et structure du nitrate-bis-nitratotrifluoroantimonate de potassium K~2~ Sb F~3~ (N O~3~)~2~ * K N O~3~ Journal of Solid State Chemistry 50 (1983) 79-85
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/1/00/82/1008209.cif $ #-------------------------------------------------------------------...
1,008,210
5.843
0.001
5.843
0.001
13.608
0.002
90
null
90
null
120
null
402.3
null
null
null
null
null
null
null
null
null
4
P 63/m m c
-P 6c 2c
194
Barium tetrairon(III) dititanium oxide
- Ba Fe4 O11 Ti2 -
- Ba Fe3.99 O11 Ti2.01 -
- Ba2 Fe7.98 O22 Ti4.02 -
2
0.083333
Obradors, X; Collomb, A; Pannetier, J; Isalgue, A; Tejada, J; Joubert, J C
Crystal structure and cationic distribution of Ba Fe~4~ Ti~2~ O~11~ R- type hexagonal ferrite
Materials Research Bulletin
1,983
18
1543
1553
10.1016/0025-5408(83)90196-4
null
0.022
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Obradors, X; Collomb, A; Pannetier, J; Isalgue, A; Tejada, J; Joubert, J C Crystal structure and cationic distribution of Ba Fe~4~ Ti~2~ O~11~ R- type hexagonal ferrite Materials Research Bulletin 18 (1983) 1543-1553
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/1/00/82/1008210.cif $ #-------------------------------------------------------------------...
1,008,211
9.654
0.003
8.776
0.004
5.084
0.003
90
null
90
null
90
null
430.7
null
null
null
null
null
null
null
null
null
2
P n m a
-P 2ac 2n
62
Uranium(VI) hexafluoride
- F6 U -
- F6 U -
- F24 U4 -
4
0.5
Levy, J. H.; Taylor, J. C.; Waugh, A. B.
Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K
Journal of Fluorine Chemistry
1,983
23
29
36
10.1016/S0022-1139(00)81276-2
null
0.058
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Levy, J. H.; Taylor, J. C.; Waugh, A. B. Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K Journal of Fluorine Chemistry 23 (1983) 29-36
297,310
2025-01-14
8:08:35
#------------------------------------------------------------------------------ #$Date: 2025-01-14 10:08:32 +0200 (Tue, 14 Jan 2025) $ #$Revision: 297310 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008211.cif $ #-------------------------------------------------------------------...
1,008,212
9.387
0.003
8.53
0.003
4.953
0.003
90
null
90
null
90
null
396.6
null
null
null
null
null
null
null
null
null
2
P n m a
-P 2ac 2n
62
Molybdenum hexafluoride
- F6 Mo -
- F6 Mo -
- F24 Mo4 -
4
0.5
Levy, J. H.; Taylor, J. C.; Waugh, A. B.
Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K
Journal of Fluorine Chemistry
1,983
23
29
36
10.1016/S0022-1139(00)81276-2
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Levy, J. H.; Taylor, J. C.; Waugh, A. B. Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K Journal of Fluorine Chemistry 23 (1983) 29-36
297,310
2025-01-14
8:08:35
#------------------------------------------------------------------------------ #$Date: 2025-01-14 10:08:32 +0200 (Tue, 14 Jan 2025) $ #$Revision: 297310 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008212.cif $ #-------------------------------------------------------------------...
1,008,213
9.422
0.002
8.569
0.002
4.98
0.002
90
null
90
null
90
null
402.1
null
null
null
null
null
null
null
null
null
2
P n m a
-P 2ac 2n
62
Tungsten hexafluoride
- F6 W -
- F6 W -
- F24 W4 -
4
0.5
Levy, J. H.; Taylor, J. C.; Waugh, A. B.
Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K
Journal of Fluorine Chemistry
1,983
23
29
36
10.1016/S0022-1139(00)81276-2
null
0.058
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Levy, J. H.; Taylor, J. C.; Waugh, A. B. Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K Journal of Fluorine Chemistry 23 (1983) 29-36
297,310
2025-01-14
8:08:35
#------------------------------------------------------------------------------ #$Date: 2025-01-14 10:08:32 +0200 (Tue, 14 Jan 2025) $ #$Revision: 297310 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008213.cif $ #-------------------------------------------------------------------...
7,015,553
10.8712
0.0002
12.5318
0.0003
13.7319
0.0003
113.484
0.001
100.682
0.001
94.266
0.001
1,663.12
0.06
120
2
120
2
null
null
null
null
7
P -1
-P 1
2
- C11.5 H16 B K N6 O0.5 S2 -
- C11.5 H16 B K N6 O0.5 S2 -
- C46 H64 B4 K4 N24 O2 S8 -
4
2
López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy
Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4647
4659
10.1039/c0dt01718c
0.71073
MoKα
0.0597
0.0432
null
null
0.1204
0.1313
null
null
null
null
null
1.084
null
null
has coordinates
López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy Potassium S2N-heteroscorpionates: structure and iridaboratrane formation. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4647-4659
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015553.cif $ #-------------------------------------------------------------------...
1,008,214
8.61
0.005
7.137
0.005
7.108
0.005
96.09
0.05
105.99
0.05
100.49
0.05
407.2
null
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
Dizinc cyclo-tetraphosphate octahydrate
- H16 O20 P4 Zn2 -
- H16 O20 P4 Zn2 -
- H16 O20 P4 Zn2 -
1
0.5
Averbuch-Pouchot, M T
Crystal Structure of Zinc-tetrametaphosphate Octahydrate: Zn~2~ P~4~ O~12~ (H~2~ O)~8~
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,983
503
231
237
10.1002/zaac.19835030825
null
0.031
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T Crystal Structure of Zinc-tetrametaphosphate Octahydrate: Zn~2~ P~4~ O~12~ (H~2~ O)~8~ Zeitschrift fuer Anorganische und Allgemeine Chemie 503 (1983) 231-237
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/1/00/82/1008214.cif $ #-------------------------------------------------------------------...
1,008,215
5.177
null
5.177
null
14.168
null
90
null
90
null
120
null
328.8
null
null
null
null
null
null
null
null
null
3
P -3 c 1
-P 3 2"c
165
Cobalt oxoniobate
- Co4 Nb2 O9 -
- Co4 Nb2 O9 -
- Co8 Nb4 O18 -
2
0.166667
Bertaut, E F; Corliss, L; Forrat, F; Aleonard, R; Pauthenet, R
Etude de niobates et tantalates de metaux transition bivalents
Journal of Physics and Chemistry of Solids
1,961
21
234
251
10.1016/0022-3697(61)90103-2
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bertaut, E F; Corliss, L; Forrat, F; Aleonard, R; Pauthenet, R Etude de niobates et tantalates de metaux transition bivalents Journal of Physics and Chemistry of Solids 21 (1961) 234-251
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/1/00/82/1008215.cif $ #-------------------------------------------------------------------...
1,008,216
5.335
null
5.335
null
14.32
null
90
null
90
null
120
null
353
null
null
null
null
null
null
null
null
null
3
P -3 c 1
-P 3 2"c
165
Manganese niobate
- Mn4 Nb2 O9 -
- Mn4 Nb2 O9 -
- Mn8 Nb4 O18 -
2
0.166667
Bertaut, E F; Corliss, L; Forrat, F; Aleonard, R; Pauthenet, R
Etude de niobates et tantalates de metaux transition bivalents
Journal of Physics and Chemistry of Solids
1,961
21
234
251
10.1016/0022-3697(61)90103-2
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bertaut, E F; Corliss, L; Forrat, F; Aleonard, R; Pauthenet, R Etude de niobates et tantalates de metaux transition bivalents Journal of Physics and Chemistry of Solids 21 (1961) 234-251
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/1/00/82/1008216.cif $ #-------------------------------------------------------------------...
1,008,217
5.756
0.003
5.756
null
5.756
null
90
null
90
null
90
null
190.7
null
null
null
null
null
null
null
null
null
3
F m -3 m
-F 4 2 3
225
Lanthanum oxide fluoride
- F La O -
- F La O -
- F4 La4 O4 -
4
0.020833
Klemm, W; Klein, H A
Lanthanoxyfluorid
Zeitschrift fuer Anorganische und Allgemeine Chemie
1,941
248
167
171
10.1002/zaac.19412480207
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Klemm, W; Klein, H A Lanthanoxyfluorid Zeitschrift fuer Anorganische und Allgemeine Chemie 248 (1941) 167-171
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/1/00/82/1008217.cif $ #-------------------------------------------------------------------...
1,008,218
15.43
0.01
5.512
0.005
13.72
0.01
90
null
108.53
0.05
90
null
1,106.4
null
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
Lithium potassium catena-phosphate
- K Li O6 P2 -
- K Li O6 P2 -
- K8 Li8 O48 P16 -
8
2
El Horr, N; Bagieu, M; Tordjman, I
Structure d'un polyphosphate mixte de lithium et de potassium, Li K (P O~3~)~2~
Acta Crystallographica C (39,1983-)
1,983
39
1597
1599
null
0.031
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
El Horr, N; Bagieu, M; Tordjman, I Structure d'un polyphosphate mixte de lithium et de potassium, Li K (P O~3~)~2~ Acta Crystallographica C (39,1983-) 39 (1983) 1597-1599
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/1/00/82/1008218.cif $ #-------------------------------------------------------------------...
1,008,219
7.2538
0.0007
7.2538
null
7.2538
null
90
null
90
null
90
null
381.7
null
null
null
null
null
null
null
null
null
4
I m -3
-I 2 2 3
204
Yttrium copper manganese oxide (1/3/4/12)
- Cu3 Mn4 O12 Y -
- Cu3 Mn4 O12 Y -
- Cu6 Mn8 O24 Y2 -
2
0.041667
Collomb, A; Samaras, D; Buevoz, J L; Levy, J P; Joubert, J C
Synthesis, composition-range and crystal structure of the Perovskite- like ferrimagnet Y Cu~3~ Mn~4~ O~12~
Journal of Magnetism and Magnetic Materials
1,983
40
75
82
10.1016/0304-8853(83)90012-4
null
0.04
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Collomb, A; Samaras, D; Buevoz, J L; Levy, J P; Joubert, J C Synthesis, composition-range and crystal structure of the Perovskite- like ferrimagnet Y Cu~3~ Mn~4~ O~12~ Journal of Magnetism and Magnetic Materials 40 (1983) 75-82
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/1/00/82/1008219.cif $ #-------------------------------------------------------------------...
7,015,552
6.9487
0.0014
37.295
0.008
14.782
0.003
90
null
94.1
0.03
90
null
3,821
1.4
100
2
100
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C14 H22 B K N6 O S2 -
- C14 H22 B K N6 O S2 -
- C112 H176 B8 K8 N48 O8 S16 -
8
2
López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy
Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4647
4659
10.1039/c0dt01718c
0.71073
MoKα
0.0571
0.0505
null
null
0.1036
0.1065
null
null
null
null
null
1.195
null
null
has coordinates
López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy Potassium S2N-heteroscorpionates: structure and iridaboratrane formation. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4647-4659
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015552.cif $ #-------------------------------------------------------------------...
1,008,220
7.275
0.001
7.275
null
7.275
null
90
null
90
null
90
null
385
null
null
null
null
null
null
null
null
null
4
I m -3
-I 2 2 3
204
Yttrium copper manganese oxide (1/3/4/12)
- Cu3 Mn4 O12 Y -
- Cu3 Mn4 O12 Y -
- Cu6 Mn8 O24 Y2 -
2
0.041667
Collomb, A; Samaras, D; Buevoz, J L; Levy, J P; Joubert, J C
Synthesis, composition-ranqe and crystal structure of the Perovskite- like ferrimagnet Y Cu~3~ Mn~4~ O~12~
Journal of Magnetism and Magnetic Materials
1,983
40
75
82
10.1016/0304-8853(83)90012-4
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Collomb, A; Samaras, D; Buevoz, J L; Levy, J P; Joubert, J C Synthesis, composition-ranqe and crystal structure of the Perovskite- like ferrimagnet Y Cu~3~ Mn~4~ O~12~ Journal of Magnetism and Magnetic Materials 40 (1983) 75-82
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/1/00/82/1008220.cif $ #-------------------------------------------------------------------...
1,008,221
8.333
null
5.326
null
6.861
null
90
null
90
null
90
null
304.5
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
Europium(II) sulfate
- Eu O4 S -
4
0.5
Mayer, I; Levy, E; Glasner, A
The Crystal Structure of Eu S O~4~ and Eu C O~3~
Acta Crystallographica (1,1948-23,1967)
1,964
17
1071
1072
10.1107/S0365110X64002699
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Mayer, I; Levy, E; Glasner, A The Crystal Structure of Eu S O~4~ and Eu C O~3~ Acta Crystallographica (1,1948-23,1967) 17 (1964) 1071-1072
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/1/00/82/1008221.cif $ #-------------------------------------------------------------------...
1,008,222
5.102
null
8.422
null
6.03
null
90
null
90
null
90
null
259.1
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
Europium(II) carbonate
- C Eu O3 -
4
0.5
Mayer, I; Levy, E; Glasner, A
The Crystal Structure of Eu S O~4~ and Eu C O~3~
Acta Crystallographica (1,1948-23,1967)
1,964
17
1071
1072
10.1107/S0365110X64002699
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Mayer, I; Levy, E; Glasner, A The Crystal Structure of Eu S O~4~ and Eu C O~3~ Acta Crystallographica (1,1948-23,1967) 17 (1964) 1071-1072
278,158
2022-09-26
15:28:11
#------------------------------------------------------------------------------ #$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008222.cif $ #-------------------------------------------------------------------...
1,008,223
8.34
0.02
8.34
0.02
7.96
0.02
90
null
90
null
90
null
553.7
null
null
null
null
null
null
null
null
null
from Windschau, near Frain-upon-Thaya, CSSR
5
null
Iron magnesium aluminium titanium oxide *
Hoegbomite
- Al16 Fe22 Mg6 O32 Ti -
null
null
Levy, C M; Sandrea, A
La hoegbomite de frain (tchecoslovaquie)
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)
1,953
76
430
433
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Levy, C M; Sandrea, A La hoegbomite de frain (tchecoslovaquie) Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 76 (1953) 430-433
77,586
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008223.cif $ #--------------------------------------------------------------------...
1,008,224
11.835
0.003
11.835
0.003
29.991
0.009
90
null
90
null
120
null
3,638
null
null
null
null
null
null
null
null
null
3
R 3 c :H
R 3 -2"c
161
Bismuth(I) tetrachloroaluminate
- Al Bi Cl4 -
18
1
Levy, H A; Agron, P A; Danford, M D; Ellison, R D
Cell dimensions and space group of bismuth(I) chloro-aluminate.
Acta Crystallographica (1,1948-23,1967)
1,961
14
549
550
10.1107/S0365110X61001753
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Levy, H A; Agron, P A; Danford, M D; Ellison, R D Cell dimensions and space group of bismuth(I) chloro-aluminate. Acta Crystallographica (1,1948-23,1967) 14 (1961) 549-550
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/1/00/82/1008224.cif $ #-------------------------------------------------------------------...
1,008,225
10.144
null
10.144
null
10.144
null
90
null
90
null
90
null
1,043.8
null
null
null
null
null
null
null
null
null
3
null
Diruthenium(IV) diyttrium oxide
- O7 Ru2 Y2 -
null
null
Bertaut, F; Forrat, F; Montmory, M C
Pyrochlores de terres rares et du ruthenium.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,959
249
829
831
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bertaut, F; Forrat, F; Montmory, M C Pyrochlores de terres rares et du ruthenium. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 249 (1959) 829-831
35,911
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008225.cif $ #--------------------------------------------------------------------...
1,008,226
5.66
null
5.66
null
22.285
null
90
null
90
null
120
null
618.3
null
null
null
null
null
null
null
null
null
3
null
Barium dodecaaluminium oxide
- Al12 Ba O19 -
2
null
Bertaut, F; Deschamps, A; Pauthenet, R
Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe~2~ O~3~)~6~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,958
246
2594
2597
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bertaut, F; Deschamps, A; Pauthenet, R Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe~2~ O~3~)~6~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 246 (1958) 2594-2597
35,911
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008226.cif $ #--------------------------------------------------------------------...
7,015,551
18.322
0.004
8.8509
0.0018
31.688
0.006
90
null
95.16
0.03
90
null
5,117.9
1.8
173
2
173
2
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C44 H40 F24 N8 O P4 Ru -
- C44 H38 F24 N8 O P4 Ru -
- C176 H152 F96 N32 O4 P16 Ru4 -
4
1
Constable, Edwin C.; Devereux, Michael; Dunphy, Emma L.; Housecroft, Catherine E.; Rudd, Jennifer A.; Zampese, Jennifer A.
Water-soluble alkylated bis{4'-(4-pyridyl)-2,2':6',2''-terpyridine}ruthenium(ii) complexes for use as photosensitizers in water oxidation: a complementary experimental and TD-DFT investigation.
Dalton transactions (Cambridge, England : 2003)
2,011
40
20
5505
5515
10.1039/c0dt01714k
0.71073
MoKα
0.0935
0.0664
null
null
0.128
0.1385
null
null
null
null
null
1.161
null
null
has coordinates,has disorder
Constable, Edwin C.; Devereux, Michael; Dunphy, Emma L.; Housecroft, Catherine E.; Rudd, Jennifer A.; Zampese, Jennifer A. Water-soluble alkylated bis{4'-(4-pyridyl)-2,2':6',2''-terpyridine}ruthenium(ii) complexes for use as photosensitizers in water oxidation: a complementary experimental and TD-DFT investigation. Dal...
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015551.cif $ #-------------------------------------------------------------------...
1,008,227
5.818
null
5.818
null
23
null
90
null
90
null
120
null
674.2
null
null
null
null
null
null
null
null
null
3
null
Barium dodecagallium oxide
- Ba Ga12 O19 -
2
null
Bertaut, F; Deschamps, A; Pauthenet, R
Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe~2~ O~3~)~6~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,958
246
2594
2597
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bertaut, F; Deschamps, A; Pauthenet, R Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe~2~ O~3~)~6~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 246 (1958) 2594-2597
35,911
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008227.cif $ #--------------------------------------------------------------------...
1,008,228
5.844
null
5.844
null
22.82
null
90
null
90
null
120
null
674.9
null
null
null
null
null
null
null
null
null
4
null
Barium tetrairon(III) octachromium oxide
- Ba Cr8 Fe4 O19 -
2
null
Bertaut, F; Deschamps, A; Pauthenet, R
Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe~2~ O~3~)~6~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,958
246
2594
2597
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bertaut, F; Deschamps, A; Pauthenet, R Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe~2~ O~3~)~6~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 246 (1958) 2594-2597
35,911
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008228.cif $ #--------------------------------------------------------------------...
1,008,229
5.88
null
5.88
null
22.971
null
90
null
90
null
120
null
687.8
null
null
null
null
null
null
null
null
null
4
P 63/m m c
-P 6c 2c
194
Barium lanthanum iron oxide (0.1/0.9/12/19)
- Ba0.1 Fe12 La0.9 O19 -
null
null
Deschamps, A; Bertaut, F
Sur la substitution de baryum par une terre rare dans l'hexaferrite Ba O, (Fe~2~ O~3~)~6~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,957
244
3069
3072
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Deschamps, A; Bertaut, F Sur la substitution de baryum par une terre rare dans l'hexaferrite Ba O, (Fe~2~ O~3~)~6~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 244 (1957) 3069-3072
278,158
2022-09-26
15:28:11
#------------------------------------------------------------------------------ #$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008229.cif $ #-------------------------------------------------------------------...
1,008,230
8.21
null
8.21
null
8.5
null
90
null
90
null
90
null
572.9
null
null
null
null
null
null
null
null
null
4
null
Germanium cobalt copper oxide (1/1.8/0.2/4)
- Co1.8 Cu0.2 Ge O4 -
null
null
Bertaut, F; Delorme, C
Etude des deformations dans quelques spinelles de cuivre.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,954
239
504
505
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bertaut, F; Delorme, C Etude des deformations dans quelques spinelles de cuivre. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 239 (1954) 504-505
278,158
2022-09-26
15:28:11
#------------------------------------------------------------------------------ #$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008230.cif $ #-------------------------------------------------------------------...
7,015,550
10.7891
0.0012
15.4618
0.0014
17.1493
0.0018
63.402
0.008
72.448
0.009
89.894
0.009
2,409
0.5
294
2
294
2
null
null
null
null
6
P -1
-P 1
2
- C55.04 H52.08 Al N3 O0.26 P2 -
- C55 H52 Al N3 O0.25 P2 -
- C110 H104 Al2 N6 O0.5 P4 -
2
1
Ma, Wen-An; Wang, Li; Wang, Zhong-Xia
Dimethylaluminium iminophosphoranylenamides and iminophosphoranylanilides: synthesis, characterisation, and their controlled ring-opening polymerisation of ε-caprolactone.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4669
4677
10.1039/c0dt01713b
0.7107
MoKα
0.1033
0.0631
null
null
0.1794
0.2035
null
null
null
null
null
1.01
null
null
has coordinates
Ma, Wen-An; Wang, Li; Wang, Zhong-Xia Dimethylaluminium iminophosphoranylenamides and iminophosphoranylanilides: synthesis, characterisation, and their controlled ring-opening polymerisation of ε-caprolactone. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4669-4677
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015550.cif $ #-------------------------------------------------------------------...
1,008,231
4.44
null
4.44
null
10.35
null
90
null
90
null
90
null
204
null
null
null
null
null
null
null
null
null
3
I 41/a m d :2
-I 4bd 2
141
Yttrium lithium oxide
- Li O2 Y -
1
0.03125
Bertaut, F; Gondrand, M
Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,962
255
1135
1137
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bertaut, F; Gondrand, M Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 255 (1962) 1135-1137
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/1/00/82/1008231.cif $ #-------------------------------------------------------------------...
1,008,232
4.42
null
4.42
null
10.2
null
90
null
90
null
90
null
199.3
null
null
null
null
null
null
null
null
null
3
I 41/a m d :2
-I 4bd 2
141
Erbium lithium oxide
- Er Li O2 -
null
null
Bertaut, F; Gondrand, M
Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,962
255
1135
1137
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bertaut, F; Gondrand, M Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 255 (1962) 1135-1137
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/1/00/82/1008232.cif $ #-------------------------------------------------------------------...
1,008,233
4.405
null
4.405
null
10.15
null
90
null
90
null
90
null
197
null
null
null
null
null
null
null
null
null
3
I 41/a m d :2
-I 4bd 2
141
Thulium lithium oxide
- Li O2 Tm -
null
null
Bertaut, F; Gondrand, M
Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,962
255
1135
1137
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bertaut, F; Gondrand, M Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 255 (1962) 1135-1137
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/1/00/82/1008233.cif $ #-------------------------------------------------------------------...
1,008,234
4.39
null
4.39
null
10.06
null
90
null
90
null
90
null
193.9
null
null
null
null
null
null
null
null
null
3
I 41/a m d :2
-I 4bd 2
141
Ytterbium lithium oxide
- Li O2 Yb -
null
null
Bertaut, F; Gondrand, M
Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,962
255
1135
1137
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bertaut, F; Gondrand, M Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 255 (1962) 1135-1137
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/1/00/82/1008234.cif $ #-------------------------------------------------------------------...
1,008,235
4.37
null
4.37
null
9.95
null
90
null
90
null
90
null
190
null
null
null
null
null
null
null
null
null
3
I 41/a m d :2
-I 4bd 2
141
Lutetium lithium oxide
- Li Lu O2 -
null
null
Bertaut, F; Gondrand, M
Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,962
255
1135
1137
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bertaut, F; Gondrand, M Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 255 (1962) 1135-1137
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/1/00/82/1008235.cif $ #-------------------------------------------------------------------...
7,015,549
12.3833
0.0013
13.9861
0.0014
18.4732
0.0018
90
null
90.136
0.001
90
null
3,199.4
0.6
298
2
298
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C35 H34 Al N2 P -
- C35 H34 Al N2 P -
- C140 H136 Al4 N8 P4 -
4
1
Ma, Wen-An; Wang, Li; Wang, Zhong-Xia
Dimethylaluminium iminophosphoranylenamides and iminophosphoranylanilides: synthesis, characterisation, and their controlled ring-opening polymerisation of ε-caprolactone.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4669
4677
10.1039/c0dt01713b
0.71073
MoKα
0.122
0.0612
null
null
0.1311
0.1503
null
null
null
null
null
1.046
null
null
has coordinates
Ma, Wen-An; Wang, Li; Wang, Zhong-Xia Dimethylaluminium iminophosphoranylenamides and iminophosphoranylanilides: synthesis, characterisation, and their controlled ring-opening polymerisation of ε-caprolactone. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4669-4677
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015549.cif $ #-------------------------------------------------------------------...
1,008,236
6.14
null
6.19
null
6.23
null
90
null
119.33
null
90
null
206.4
null
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
Holmium lithium oxide
- Ho Li O2 -
null
null
Bertaut, F; Gondrand, M
Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)
1,962
255
1135
1137
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
Bertaut, F; Gondrand, M Etude des combinaisons d'oxydes de terres rares et de lithium du type T Li O~2~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 255 (1962) 1135-1137
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/1/00/82/1008236.cif $ #-------------------------------------------------------------------...
1,008,237
7.54
0.003
13.06
0.02
7.75
0.003
90
null
90
null
90
null
763.2
null
null
null
null
null
null
null
null
null
3
C 2 2 21
C 2c 2
20
Potassium niobium fluoride (0.3/1/3)
- F3 K0.3 Nb -
- F3 K0.3 Nb -
- F36 K3.6 Nb12 -
12
1.5
Masse, R; Aleonard, S; Averbuch-Pouchot, M T
Chemical Preparation and X-ray Structure Determination of K~0.3~ Nb F
Journal of Solid State Chemistry
1,984
53
136
139
10.1016/0022-4596(84)90236-6
null
0.044
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Masse, R; Aleonard, S; Averbuch-Pouchot, M T Chemical Preparation and X-ray Structure Determination of K~0.3~ Nb F Journal of Solid State Chemistry 53 (1984) 136-139
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/1/00/82/1008237.cif $ #-------------------------------------------------------------------...
1,008,238
16.718
0.002
7.696
0.001
8.931
0.001
90
null
90
null
90
null
1,149.1
null
null
null
null
null
null
null
null
null
3
P m m n :2
-P 2ab 2a
59
Lithium octaoxotritantalate - H
- Li O8 Ta3 -
- Li O8 Ta3 -
- Li8 O64 Ta24 -
8
1
Hodeau, J L; Marezio, M; Santoro, A; Roth, R S
Neutron Diffraction Structure Determination ot the High-temperature Form of Lithium Tritanatalte, H-Li Ta~3~ O~8~
Journal of Solid State Chemistry
1,984
51
275
292
10.1016/0022-4596(84)90344-X
null
0.035
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hodeau, J L; Marezio, M; Santoro, A; Roth, R S Neutron Diffraction Structure Determination ot the High-temperature Form of Lithium Tritanatalte, H-Li Ta~3~ O~8~ Journal of Solid State Chemistry 51 (1984) 275-292
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/1/00/82/1008238.cif $ #-------------------------------------------------------------------...
1,008,239
16.718
0.002
7.696
0.001
8.931
0.001
90
null
90
null
90
null
1,149.1
null
null
null
null
null
null
null
null
null
3
P m m n :2
-P 2ab 2a
59
Lithium tantalum oxide (0.9/3/8) - H
- Li0.88 O8 Ta3 -
- Li0.875 O8 Ta3 -
- Li7 O64 Ta24 -
8
1
Hodeau, J L; Marezio, M; Santoro, A; Roth, R S
Neutron Diffraction Structure Determination of the High-Temperature Form of Lithium Tritantalate, H-Li Ta~3~ O~8~
Journal of Solid State Chemistry
1,984
51
275
292
10.1016/0022-4596(84)90344-X
null
0.035
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hodeau, J L; Marezio, M; Santoro, A; Roth, R S Neutron Diffraction Structure Determination of the High-Temperature Form of Lithium Tritantalate, H-Li Ta~3~ O~8~ Journal of Solid State Chemistry 51 (1984) 275-292
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/1/00/82/1008239.cif $ #-------------------------------------------------------------------...
1,008,240
12.372
0.008
10.438
0.008
8.191
0.005
90
null
92.32
0.05
90
null
1,056.9
null
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
Mercury dipotassium dichloride dichromate
- Cl2 Cr2 Hg K2 O7 -
- Cl2 Cr2 Hg K2 O7 -
- Cl8 Cr8 Hg4 K8 O28 -
4
1
Averbuch-Pouchot, M T; El-Horr, N; Guitel, J C
Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), Hg Cl~2~ K~2~ Cr~2~ O~7~, and Mercury Dichloride - Diammonium Dichromate (1/1), Hg Cl~2~ ((N H~4~)~2~ Cr~2~ O~7~)
Acta Crystallographica C (39,1983-)
1,984
40
725
728
null
0.042
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; El-Horr, N; Guitel, J C Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), Hg Cl~2~ K~2~ Cr~2~ O~7~, and Mercury Dichloride - Diammonium Dichromate (1/1), Hg Cl~2~ ((N H~4~)~2~ Cr~2~ O~7~) Acta Crystallographica C (39,1983-) 40 (1984) 725-728
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/1/00/82/1008240.cif $ #-------------------------------------------------------------------...
7,015,548
24.5836
0.0005
23.4043
0.0004
32.2296
0.0005
90
null
108.272
0.001
90
null
17,608.7
0.6
100
2
100
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C186 H162 Fe9 N10 O53 -
- C185 H160.5 Fe9 N9.5 O53 -
- C740 H642 Fe36 N38 O212 -
4
1
Graham, Kristoffer; Ferguson, Alan; Douglas, Fraser J.; Thomas, Lynne H.; Murrie, Mark
Access to an unusual Fe9 core topology from the initial use of tricine in iron(III) cluster chemistry.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3125
3127
10.1039/c0dt01712d
0.71073
MoKα
0.097
0.0617
null
null
null
0.1827
null
null
null
null
null
0.963
null
null
has coordinates,has disorder
Graham, Kristoffer; Ferguson, Alan; Douglas, Fraser J.; Thomas, Lynne H.; Murrie, Mark Access to an unusual Fe9 core topology from the initial use of tricine in iron(III) cluster chemistry. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3125-3127
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015548.cif $ #-------------------------------------------------------------------...
1,008,241
14.891
0.005
7.604
0.005
9.62
0.006
90
null
96.02
0.05
90
null
1,083.3
null
null
null
null
null
null
null
null
null
6
P 1 21/a 1
-P 2yab
14
Mercury diammonium dichloride dichromate
- Cl2 Cr2 H8 Hg N2 O7 -
- Cl2 Cr2 H8 Hg N2 O7 -
- Cl8 Cr8 H32 Hg4 N8 O28 -
4
1
Averbuch-Pouchot, M T; El-Horr, N; Guitel, J C
Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), Hg Cl~2~ K~2~ Cr~2~ O~7~, and Mercury Dichloride - Diammonium Dichromate (1/1), Hg Cl~2~ ((N H~4~)~2~ Cr~2~ O~7~)
Acta Crystallographica C (39,1983-)
1,984
40
725
728
null
0.032
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T; El-Horr, N; Guitel, J C Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), Hg Cl~2~ K~2~ Cr~2~ O~7~, and Mercury Dichloride - Diammonium Dichromate (1/1), Hg Cl~2~ ((N H~4~)~2~ Cr~2~ O~7~) Acta Crystallographica C (39,1983-) 40 (1984) 725-728
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/1/00/82/1008241.cif $ #-------------------------------------------------------------------...
1,008,242
9.74
0.01
9.74
0.01
9.74
0.01
90
null
90
null
90
null
924
null
null
null
null
null
null
null
null
null
3
F -4 3 m
F -4 2 3
216
Gallium molybdenum sulfide (1/4/8)
- Ga Mo4 S8 -
- Ga Mo4 S8 -
- Ga4 Mo16 S32 -
4
0.041667
Ben Yaich, H; Jegaden, J C; Potel, M; Chevrel, R; Sergent, M; Berton, A; Chaussy, J; Rastogi, A K; Tournier, R
Nouveaux chalcogenures mixtes Ga Mo~4~ (XX')8 (X=S, Se, Te) a clusters tetraedriques Mo~4~
Journal of Solid State Chemistry
1,984
51
212
217
10.1016/0022-4596(84)90336-0
null
0.05
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ben Yaich, H; Jegaden, J C; Potel, M; Chevrel, R; Sergent, M; Berton, A; Chaussy, J; Rastogi, A K; Tournier, R Nouveaux chalcogenures mixtes Ga Mo~4~ (XX')8 (X=S, Se, Te) a clusters tetraedriques Mo~4~ Journal of Solid State Chemistry 51 (1984) 212-217
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/1/00/82/1008242.cif $ #-------------------------------------------------------------------...
1,008,243
10.16
0.01
10.16
0.01
10.16
0.1
90
null
90
null
90
null
1,048.8
null
null
null
null
null
null
null
null
null
3
F -4 3 m
F -4 2 3
216
Gallium molybdenum selenide (1/4/8)
- Ga Mo4 Se8 -
- Ga Mo4 Se8 -
- Ga4 Mo16 Se32 -
4
0.041667
Ben Yaich, H; Jegaden, J C; Potel, M; Chevrel, R; Sergent, M; Berton, A; Chaussy, J; Rastogi, A K; Tournier, R
Nouveaux chalcogenures mixtes Ga Mo~4~ (XX')8 (X=S, Se, Te) a clusters tetraedriques Mo~4~
Journal of Solid State Chemistry
1,984
51
212
217
10.1016/0022-4596(84)90336-0
null
0.053
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ben Yaich, H; Jegaden, J C; Potel, M; Chevrel, R; Sergent, M; Berton, A; Chaussy, J; Rastogi, A K; Tournier, R Nouveaux chalcogenures mixtes Ga Mo~4~ (XX')8 (X=S, Se, Te) a clusters tetraedriques Mo~4~ Journal of Solid State Chemistry 51 (1984) 212-217
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/1/00/82/1008243.cif $ #-------------------------------------------------------------------...
7,015,547
14.967
0.004
16.091
0.004
18.659
0.004
72.065
0.009
73.14
0.008
70.837
0.009
3,948.2
1.7
100
2
100
2
null
null
null
null
5
P -1
-P 1
2
- C84 H78 Fe3 N O28 -
- C84 H78 Fe3 N O28 -
- C168 H156 Fe6 N2 O56 -
2
1
Graham, Kristoffer; Ferguson, Alan; Douglas, Fraser J.; Thomas, Lynne H.; Murrie, Mark
Access to an unusual Fe9 core topology from the initial use of tricine in iron(III) cluster chemistry.
Dalton transactions (Cambridge, England : 2003)
2,011
40
13
3125
3127
10.1039/c0dt01712d
0.71073
MoKα
0.1187
0.057
null
null
null
0.1397
null
null
null
null
null
1.021
null
null
has coordinates
Graham, Kristoffer; Ferguson, Alan; Douglas, Fraser J.; Thomas, Lynne H.; Murrie, Mark Access to an unusual Fe9 core topology from the initial use of tricine in iron(III) cluster chemistry. Dalton transactions (Cambridge, England : 2003) 40(13) (2011) 3125-3127
301,847
2025-08-21
11:39:34
#------------------------------------------------------------------------------ #$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301847 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015547.cif $ #-------------------------------------------------------------------...
1,008,244
10.62
null
10.62
null
10.62
null
90
null
90
null
90
null
1,197.8
null
null
null
null
null
null
null
null
null
4
F -4 3 m
F -4 2 3
216
Gallium molybdenum selenide telluride (1/4/4/4)
- Ga Mo4 Se4 Te4 -
- Ga Mo4 Se4 Te4 -
- Ga4 Mo16 Se16 Te16 -
4
0.041667
Ben Yaich, H; Jegaden, J C; Potel, M; Chevrel, R; Sergent, M; Berton, A; Chaussy, J; Rastogi, A K; Tournier, R
Nouveaux chalcogenures mixtes Ga Mo~4~ (XX')8 (X=S, Se, Te) a clusters tetraedriques Mo~4~
Journal of Solid State Chemistry
1,984
51
212
217
10.1016/0022-4596(84)90336-0
null
0.053
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ben Yaich, H; Jegaden, J C; Potel, M; Chevrel, R; Sergent, M; Berton, A; Chaussy, J; Rastogi, A K; Tournier, R Nouveaux chalcogenures mixtes Ga Mo~4~ (XX')8 (X=S, Se, Te) a clusters tetraedriques Mo~4~ Journal of Solid State Chemistry 51 (1984) 212-217
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/1/00/82/1008244.cif $ #-------------------------------------------------------------------...
1,008,245
5.329
0.001
5.329
0.001
5.329
0.001
90
null
90
null
90
null
151.3
null
null
null
null
null
null
null
null
null
2
P a -3
-P 2ac 2ab 3
205
PALLADIUM(II) FLUORIDE
- F2 Pd -
- F2 Pd -
- F8 Pd4 -
4
0.166667
Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F
On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~
Materials Research Bulletin
1,981
16
207
214
10.1016/0025-5408(81)90083-0
null
0.054
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~ Materials Research Bulletin 16 (1981) 207-214
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/1/00/82/1008245.cif $ #-------------------------------------------------------------------...
1,008,246
5.329
0.001
5.329
0.001
5.329
0.001
90
null
90
null
90
null
151.3
null
null
null
null
null
null
null
null
null
2
P 21 3
P 2ac 2ab 3
198
PALLADIUM FLUORIDE
- F2 Pd -
- F2 Pd -
- F8 Pd4 -
4
0.333333
Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F
On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~
Materials Research Bulletin
1,981
16
207
214
10.1016/0025-5408(81)90083-0
null
0.055
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~ Materials Research Bulletin 16 (1981) 207-214
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/1/00/82/1008246.cif $ #-------------------------------------------------------------------...
1,008,247
8.606
0.003
6.346
0.003
6.811
0.003
90
null
94.16
0.01
90
null
371
null
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
COPPER HYDROGENPHOSPHATE HYDRATE
- Cu H3 O5 P -
- Cu H3 O5 P -
- Cu4 H12 O20 P4 -
4
1
Boudjada, A
Structure cristalline de l'orthophosphate monoacide de cuivre monohydrate Cu (H P O~4~) (H~2~ O)
Materials Research Bulletin
1,980
15
1083
1090
10.1016/0025-5408(80)90070-7
null
0.057
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boudjada, A Structure cristalline de l'orthophosphate monoacide de cuivre monohydrate Cu (H P O~4~) (H~2~ O) Materials Research Bulletin 15 (1980) 1083-1090
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/1/00/82/1008247.cif $ #-------------------------------------------------------------------...
7,015,546
38.946
0.005
11.314
0.001
28.926
0.004
90
null
90.636
0.003
90
null
12,745
3
150
2
150
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C52 H25 Cl F52 P2 Pt -
- C52 H25 Cl F52 P2 Pt -
- C416 H200 Cl8 F416 P16 Pt8 -
8
1
Berven, Bradley M.; Koutsantonis, George A.; Skelton, Brian W.; Trengove, Robert D.; White, Allan H.
Highly fluorous complexes of nickel, palladium and platinum: solubility and catalysis in high pressure CO2.
Dalton transactions (Cambridge, England : 2003)
2,011
40
16
4167
4174
10.1039/c0dt01709d
0.71073
MoKα
0.1568
0.0784
null
null
0.1665
0.2024
null
null
null
null
null
1.055
null
null
has coordinates,has disorder
Berven, Bradley M.; Koutsantonis, George A.; Skelton, Brian W.; Trengove, Robert D.; White, Allan H. Highly fluorous complexes of nickel, palladium and platinum: solubility and catalysis in high pressure CO2. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4167-4174
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015546.cif $ #-------------------------------------------------------------------...
1,008,248
7.723
0.005
7.54
0.005
7.482
0.005
90
null
101.32
0.05
90
null
427.2
null
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
DIAMMONIUM HYDROGENSULFATE DIHYDROGENPHOSPHATE
- H11 N2 O8 P S -
- H11 N2 O8 P S -
- H22 N4 O16 P2 S2 -
2
0.5
Averbuch-Pouchot, M T
Hydrogen bonding in (N H~4~) (H S O~4~) (N H~4~) (H~2~ P O~4~)
Materials Research Bulletin
1,981
16
407
411
10.1016/0025-5408(81)90008-8
null
0.028
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T Hydrogen bonding in (N H~4~) (H S O~4~) (N H~4~) (H~2~ P O~4~) Materials Research Bulletin 16 (1981) 407-411
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/1/00/82/1008248.cif $ #-------------------------------------------------------------------...
1,008,249
3.852
0.001
3.852
0.001
12.39
0.01
90
null
90
null
90
null
183.8
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
STRONTIUM LANTHANUM MANGANESE OXIDE (1.5/0.5/1/4)
- La0.5 Mn O4 Sr1.5 -
- La0.5 Mn O4 Sr1.5 -
- La Mn2 O8 Sr3 -
2
0.0625
Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G
Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~
Materials Research Bulletin
1,981
16
855
860
10.1016/0025-5408(81)90160-4
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~ Materials Research Bulletin 16 (1981) 855-860
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/1/00/82/1008249.cif $ #-------------------------------------------------------------------...
1,008,250
3.853
0.001
3.853
0.001
12.39
0.01
90
null
90
null
90
null
183.9
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
STRONTIUM LANTHANUM MANGANESE OXIDE (1.5/0.5/1/4)
- La0.5 Mn O4 Sr1.5 -
- La0.5 Mn O4 Sr1.5 -
- La Mn2 O8 Sr3 -
2
0.0625
Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G
Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~
Materials Research Bulletin
1,981
16
855
860
10.1016/0025-5408(81)90160-4
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~ Materials Research Bulletin 16 (1981) 855-860
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/1/00/82/1008250.cif $ #-------------------------------------------------------------------...
1,008,251
3.868
0.001
3.868
0.001
12.45
0.01
90
null
90
null
90
null
186.3
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
STRONTIUM LANTHANUM MANGANESE OXIDE (1.5/0.5/1/4)
- La0.5 Mn O4 Sr1.5 -
- La0.5 Mn O4 Sr1.5 -
- La Mn2 O8 Sr3 -
2
0.0625
Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G
Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~
Materials Research Bulletin
1,981
16
855
860
10.1016/0025-5408(81)90160-4
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~ Materials Research Bulletin 16 (1981) 855-860
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/1/00/82/1008251.cif $ #-------------------------------------------------------------------...
1,008,252
11.2824
null
11.2824
null
11.2824
null
90
null
90
null
90
null
1,436.2
null
null
null
null
null
null
null
null
null
3
F d -3 m :2
-F 4vw 2vw 3
227
TETRATITANIUM DIIRON OXYGEN
- Fe2 O Ti4 -
- Fe2 O Ti4 -
- Fe32 O16 Ti64 -
16
0.083333
Stioui, C; Fruchart, D; Rouault, A; Fruchart, R; Roudaut, E; Rebiere, J
Absorption d'hydrogene par Ti~4~ Fe~2~ O et diverses phases M~6~O
Materials Research Bulletin
1,981
16
869
876
10.1016/0025-5408(81)90162-8
null
0.066
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Stioui, C; Fruchart, D; Rouault, A; Fruchart, R; Roudaut, E; Rebiere, J Absorption d'hydrogene par Ti~4~ Fe~2~ O et diverses phases M~6~O Materials Research Bulletin 16 (1981) 869-876
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/1/00/82/1008252.cif $ #-------------------------------------------------------------------...
1,008,253
11.2824
null
11.2824
null
11.2824
null
90
null
90
null
90
null
1,436.2
null
null
null
null
null
null
null
null
null
4
F d -3 m :2
-F 4vw 2vw 3
227
Titanium iron oxide deuteride (4/2/0.95/2.2)
- D2.219 Fe2 O0.95 Ti4 -
- D2.219 Fe2 O0.95 Ti4 -
- D35.504 Fe32 O15.2 Ti64 -
16
0.083333
Stioui, C; Fruchart, D; Rouault, A; Fruchart, R; Roudaut, E; Rebiere, J
Absorption d'hydrogene par Ti~4~ Fe~2~ O et diverses phases M~6~O
Materials Research Bulletin
1,981
16
869
876
10.1016/0025-5408(81)90162-8
null
0.085
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Stioui, C; Fruchart, D; Rouault, A; Fruchart, R; Roudaut, E; Rebiere, J Absorption d'hydrogene par Ti~4~ Fe~2~ O et diverses phases M~6~O Materials Research Bulletin 16 (1981) 869-876
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/1/00/82/1008253.cif $ #-------------------------------------------------------------------...
7,015,545
38.808
0.005
11.306
0.002
28.942
0.004
90
null
90.766
0.002
90
null
12,698
3
150
2
150
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C51 H22 Cl2 F52 P2 Pt -
- C51 H22 Cl2 F52 P2 Pt -
- C408 H176 Cl16 F416 P16 Pt8 -
8
1
Berven, Bradley M.; Koutsantonis, George A.; Skelton, Brian W.; Trengove, Robert D.; White, Allan H.
Highly fluorous complexes of nickel, palladium and platinum: solubility and catalysis in high pressure CO2.
Dalton transactions (Cambridge, England : 2003)
2,011
40
16
4167
4174
10.1039/c0dt01709d
0.71073
MoKα
0.0869
0.0531
null
null
0.1224
0.1405
null
null
null
null
null
1.036
null
null
has coordinates,has disorder
Berven, Bradley M.; Koutsantonis, George A.; Skelton, Brian W.; Trengove, Robert D.; White, Allan H. Highly fluorous complexes of nickel, palladium and platinum: solubility and catalysis in high pressure CO2. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4167-4174
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015545.cif $ #-------------------------------------------------------------------...
1,008,254
4.606
null
4.606
null
9.063
null
90
null
90
null
90
null
192.3
null
null
null
null
null
null
null
null
null
3
P 42/m n m
-P 4n 2n
136
MOLYBDENUM DIRHODIUM(III) OXIDE
- Mo O6 Rh2 -
- Mo O6 Rh2 -
- Mo2 O12 Rh4 -
2
0.125
Badaud, J P; Fournier, J P; Omaly, J
Chimie minerale.-Preparation et etude de la phase trirutile Mo Rh~2~ O~6~
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)
1,977
284
921
923
null
0.062
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Badaud, J P; Fournier, J P; Omaly, J Chimie minerale.-Preparation et etude de la phase trirutile Mo Rh~2~ O~6~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 284 (1977) 921-923
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/1/00/82/1008254.cif $ #-------------------------------------------------------------------...
1,008,255
13.095
0.006
13.095
0.006
5.658
0.002
90
null
90
null
120
null
840.2
null
null
null
null
null
null
null
null
null
3
R 3 m :H
R 3 -2"
160
Uranium(VI) oxide tetrafluoride - α
- F4 O U -
- F4 O U -
- F36 O9 U9 -
9
0.5
Levy, J. H.; Taylor, J. C.; Wilson, P. W.
The structures of fluorides-XVII: neutron diffraction study of α-uranium oxide tetrafluoride
Journal of Inorganic and Nuclear Chemistry
1,977
39
11
1989
1991
10.1016/0022-1902(77)80531-9
null
0.15
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Levy, J. H.; Taylor, J. C.; Wilson, P. W. The structures of fluorides-XVII: neutron diffraction study of α-uranium oxide tetrafluoride Journal of Inorganic and Nuclear Chemistry 39(11) (1977) 1989-1991
200,139
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-03 03:17:11 +0300 (Sun, 03 Sep 2017) $ #$Revision: 200139 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008255.cif $ #-------------------------------------------------------------------...
1,008,256
7.449
0.007
10.127
0.014
6.686
0.004
89.25
0.12
117.56
0.04
108.87
0.09
417.5
null
null
null
null
null
null
null
null
null
2
P -1
-P 1
2
URANIUM(V) PENTABROMIDE
- Br5 U -
- Br5 U -
- Br10 U2 -
2
1
Levy, J H; Taylor, J C; Wilson, P W
The crystal structure of uranium pentabromide by powder neutron diffraction
Journal of Inorganic and Nuclear Chemistry
1,978
40
1055
1057
10.1016/0022-1902(78)80507-7
null
0.136
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Levy, J H; Taylor, J C; Wilson, P W The crystal structure of uranium pentabromide by powder neutron diffraction Journal of Inorganic and Nuclear Chemistry 40 (1978) 1055-1057
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/1/00/82/1008256.cif $ #-------------------------------------------------------------------...
1,008,257
8.846
0.003
8.378
0.003
7.241
0.003
90
null
90
null
90
null
536.6
null
null
null
null
null
null
null
null
null
6
P c a 21
P 2c -2ac
29
Urea antimony(III) fluoride
- C H4 F3 N2 O Sb -
- C H4 F3 N2 O Sb -
- C4 H16 F12 N8 O4 Sb4 -
4
1
Bourgault, M; Fourcade, R; Ducourant, B; Mascherpa, G
Structure cristalline de (N H~2~)~2~ C O, Sb F~3~
Revue de Chimie Minerale
1,979
16
151
156
null
0.079
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bourgault, M; Fourcade, R; Ducourant, B; Mascherpa, G Structure cristalline de (N H~2~)~2~ C O, Sb F~3~ Revue de Chimie Minerale 16 (1979) 151-156
200,452
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-11 16:25:09 +0300 (Mon, 11 Sep 2017) $ #$Revision: 200452 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/82/1008257.cif $ #-------------------------------------------------------------------...
1,008,258
3.796
0.003
3.796
0.003
12.447
0.005
90
null
90
null
90
null
179.4
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
STRONTIUM LANTHANUM COBALT(III) OXIDE
- Co La O4 Sr -
- Co La O4 Sr -
- Co2 La2 O8 Sr2 -
2
0.0625
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A
Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent
Nouveau Journal de Chimie
1,979
3
171
174
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174
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/1/00/82/1008258.cif $ #-------------------------------------------------------------------...
7,015,544
16.185
0.002
17.072
0.002
20.604
0.003
91.431
0.002
111.262
0.002
116.401
0.002
4,632.5
1
120
2
120
2
null
null
null
null
7
P -1
-P 1
2
- C192 H142 Mo2 N8 O50 S W12 -
- C192 H136 Mo2 N8 O50 S W12 -
- C192 H136 Mo2 N8 O50 S W12 -
1
0.5
Yokoyama, Atsutoshi; Kojima, Takahiko; Fukuzumi, Shunichi
Enclosure of a Keggin-type heteropolyoxometalate into a tubular π-space via hydrogen bonds with a nonplanar Mo(v)-porphyrin complex forming a supramolecular assembly.
Dalton transactions (Cambridge, England : 2003)
2,011
40
24
6445
6450
10.1039/c0dt01708f
0.71073
MoKα
0.0587
0.0398
null
null
0.0915
0.1058
null
null
null
null
null
1.026
null
null
has coordinates
Yokoyama, Atsutoshi; Kojima, Takahiko; Fukuzumi, Shunichi Enclosure of a Keggin-type heteropolyoxometalate into a tubular π-space via hydrogen bonds with a nonplanar Mo(v)-porphyrin complex forming a supramolecular assembly. Dalton transactions (Cambridge, England : 2003) 40(24) (2011) 6445-6450
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015544.cif $ #-------------------------------------------------------------------...
1,008,259
3.799
0.003
3.799
0.003
12.454
0.005
90
null
90
null
90
null
179.7
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
STRONTIUM LANTHANUM COBALT(III) OXIDE
- Co La O4 Sr -
- Co La O4 Sr -
- Co2 La2 O8 Sr2 -
2
0.0625
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A
Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent
Nouveau Journal de Chimie
1,979
3
171
174
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174
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/1/00/82/1008259.cif $ #-------------------------------------------------------------------...
1,008,260
3.806
0.003
3.806
0.003
12.5
0.005
90
null
90
null
90
null
181.1
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
STRONTIUM LANTHANUM COBALT(III) OXIDE
- Co La O4 Sr -
- Co La O4 Sr -
- Co2 La2 O8 Sr2 -
2
0.0625
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A
Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent
Nouveau Journal de Chimie
1,979
3
171
174
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174
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/1/00/82/1008260.cif $ #-------------------------------------------------------------------...
1,008,261
3.807
0.003
3.807
0.003
12.52
0.005
90
null
90
null
90
null
181.5
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
STRONTIUM LANTHANUM COBALT(III) OXIDE
- Co La O4 Sr -
- Co La O4 Sr -
- Co2 La2 O8 Sr2 -
2
0.0625
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A
Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent
Nouveau Journal de Chimie
1,979
3
171
174
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174
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/1/00/82/1008261.cif $ #-------------------------------------------------------------------...
7,015,543
23.105
0.005
22.054
0.005
23.008
0.006
90
null
90
null
90
null
11,724
5
296
2
296
2
null
null
null
null
7
P b c n
-P 2n 2ab
60
- C101 H108 F10.4 N16 Ni6 O21 Si1.6 -
- C103 H88 F10.4 N16 Ni6 O23 Si1.6 -
- C412 H352 F41.6 N64 Ni24 O92 Si6.4 -
4
0.5
Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S.
High-spin Ni(II) clusters: triangles and planar tetranuclear complexes.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4590
4598
10.1039/c0dt01705a
0.71073
MoKα
0.0748
0.0532
null
null
0.1612
0.1713
null
null
null
null
null
1.068
null
null
has coordinates,has disorder
Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S. High-spin Ni(II) clusters: triangles and planar tetranuclear complexes. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4590-4598
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/7/01/55/7015543.cif $ #-------------------------------------------------------------------...
1,008,262
3.811
0.003
3.811
0.003
12.554
0.005
90
null
90
null
90
null
182.3
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
STRONTIUM LANTHANUM(III) COBALT(III) oxide
- Co La O4 Sr -
- Co La O4 Sr -
- Co2 La2 O8 Sr2 -
2
0.0625
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A
Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent
Nouveau Journal de Chimie
1,979
3
171
174
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174
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/1/00/82/1008262.cif $ #-------------------------------------------------------------------...
1,008,263
3.817
0.003
3.817
0.003
12.6
0.005
90
null
90
null
90
null
183.6
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
STRONTIUM LANTHANUM TETRAOXOCOBALTATE
- Co La O4 Sr -
- Co La O4 Sr -
- Co2 La2 O8 Sr2 -
2
0.0625
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A
Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent
Nouveau Journal de Chimie
1,979
3
171
174
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174
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/1/00/82/1008263.cif $ #-------------------------------------------------------------------...
1,008,264
3.824
0.003
3.824
0.003
12.659
0.005
90
null
90
null
90
null
185.1
null
null
null
null
null
null
null
null
null
4
I 4/m m m
-I 4 2
139
STRONTIUM LANTHANUM TETRAOXOCOBALTATE
- Co La O4 Sr -
- Co La O4 Sr -
- Co2 La2 O8 Sr2 -
2
0.0625
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A
Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent
Nouveau Journal de Chimie
1,979
3
171
174
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie 3 (1979) 171-174
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/1/00/82/1008264.cif $ #-------------------------------------------------------------------...
7,015,542
24.0128
0.0012
15.698
0.0007
15.7309
0.0007
90
null
101.01
0.002
90
null
5,820.7
0.5
296
2
296
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C50 H50.5 I1.5 N8.5 Ni3 O11.5 -
- C50 H44 I1.654 N8.68 Ni3 O12.36 -
- C200 H176 I6.616 N34.72 Ni12 O49.44 -
4
1
Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S.
High-spin Ni(II) clusters: triangles and planar tetranuclear complexes.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4590
4598
10.1039/c0dt01705a
0.71073
MoKα
0.0991
0.0778
null
null
0.2088
0.2183
null
null
null
null
null
1.077
null
null
has coordinates
Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S. High-spin Ni(II) clusters: triangles and planar tetranuclear complexes. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4590-4598
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/7/01/55/7015542.cif $ #-------------------------------------------------------------------...
1,008,265
2.995
0.003
4.531
0.001
4.397
0.002
90
null
90
null
90
null
59.7
null
null
null
null
null
null
null
null
null
4
P 2 c m
P -2c 2
28
IRON MANGANESE TITANIUM DEUTERIDE (0.9/0.1/1/1.3) - $-BETA
- D1.28 Fe0.9 Mn0.1 Ti -
- D1.28 Fe0.9 Mn0.1 Ti -
- D2.56 Fe1.8 Mn0.2 Ti2 -
2
0.5
Fruchart, D; Commandre, M; Sauvage, D; Rouault, A; Tellgren, R
Structural and activation process studies of Fe-Ti-like hydride compounds
Journal of the Less-Common Metals
1,980
74
55
63
10.1016/0022-5088(80)90073-9
null
0.037
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fruchart, D; Commandre, M; Sauvage, D; Rouault, A; Tellgren, R Structural and activation process studies of Fe-Ti-like hydride compounds Journal of the Less-Common Metals 74 (1980) 55-63
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$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/1/00/82/1008265.cif $ #-------------------------------------------------------------------...
1,008,266
4.714
0.002
2.837
0.002
4.714
0.003
90
null
97.14
0.09
90
null
62.6
null
null
null
null
null
null
null
null
null
4
P 1 2/m 1
-P 2y
10
IRON MANGANESE TITANIUM DEUTERIDE (0.9/0.1/1/1.7) - $-GAMMA
- D1.69 Fe0.9 Mn0.1 Ti -
- D1.685 Fe0.9 Mn0.1 Ti -
- D3.37 Fe1.8 Mn0.2 Ti2 -
2
0.5
Fruchart, D; Commandre, M; Sauvage, D; Rouault, A; Tellgren, R
Structural and activation process studies of Fe-Ti-like hydride compounds
Journal of the Less-Common Metals
1,980
74
55
63
10.1016/0022-5088(80)90073-9
null
0.037
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fruchart, D; Commandre, M; Sauvage, D; Rouault, A; Tellgren, R Structural and activation process studies of Fe-Ti-like hydride compounds Journal of the Less-Common Metals 74 (1980) 55-63
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$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/1/00/82/1008266.cif $ #-------------------------------------------------------------------...
1,008,267
10.4414
0.0004
10.4414
0.0004
6.3433
0.0004
90
null
90
null
120
null
598.9
null
null
null
null
null
null
null
null
null
3
R -3 :H
-R 3
148
CALCIUM HEXAMANGANESE(III) MANGANESE(IV) DODECAOXIDE
- Ca Mn7 O12 -
- Ca Mn7 O12 -
- Ca3 Mn21 O36 -
3
0.166667
Bochu, B; Buevoz, J L; Chenavas, J; Collomb, A; Joubert, J C; Marezio, M
Bond lengths in (Ca Mn~3~) (Mn~4~) O~12~. A new Jahn-Teller distortion of Mn^3+^ octahedra
Solid State Communications
1,980
36
133
138
10.1016/0038-1098(80)90668-7
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bochu, B; Buevoz, J L; Chenavas, J; Collomb, A; Joubert, J C; Marezio, M Bond lengths in (Ca Mn~3~) (Mn~4~) O~12~. A new Jahn-Teller distortion of Mn^3+^ octahedra Solid State Communications 36 (1980) 133-138
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/1/00/82/1008267.cif $ #-------------------------------------------------------------------...
1,008,268
6.21
0.08
6.21
0.08
30
0.7
90
null
90
null
120
null
1,001.9
null
null
null
null
null
null
null
null
null
4
R -3 m :H
-R 3 2"
166
Tetracaesium trinickel cadmium fluoride
- Cd Cs4 F12 Ni3 -
- Cd Cs4 F12 Ni3 -
- Cd3 Cs12 F36 Ni9 -
3
0.083333
Dance, J M; Kerkouri, N; Soubeyroux, J L; Darriet, J; Tressaud, A
Cationic substitutions in fluorides of hexagonal Perovskite type. III. The Cs Ni~1-x~ Cd~x~ F3 system. Crystal chemistry and trimeric magnetic interactions in Cs Ni~.75~ Cd~.25~ F~3~
Materials Letters
1,982
1
49
52
10.1016/0167-577X(82)90004-0
null
0.068
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dance, J M; Kerkouri, N; Soubeyroux, J L; Darriet, J; Tressaud, A Cationic substitutions in fluorides of hexagonal Perovskite type. III. The Cs Ni~1-x~ Cd~x~ F3 system. Crystal chemistry and trimeric magnetic interactions in Cs Ni~.75~ Cd~.25~ F~3~ Materials Letters 1 (1982) 49-52
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/1/00/82/1008268.cif $ #-------------------------------------------------------------------...
7,015,541
24.004
0.002
15.6042
0.0014
15.695
0.0015
90
null
99.916
0.001
90
null
5,790.9
0.9
296
2
296
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C50.5 H51.75 I2 N8 Ni3 O10.5 -
- C50.607 H51.821 I2 N8 Ni3 O10.607 -
- C202.428 H207.284 I8 N32 Ni12 O42.428 -
4
1
Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S.
High-spin Ni(II) clusters: triangles and planar tetranuclear complexes.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4590
4598
10.1039/c0dt01705a
0.71073
MoKα
0.0756
0.0565
null
null
0.17
0.1804
null
null
null
null
null
1.078
null
null
has coordinates
Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S. High-spin Ni(II) clusters: triangles and planar tetranuclear complexes. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4590-4598
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/7/01/55/7015541.cif $ #-------------------------------------------------------------------...
1,008,269
13.197
null
6.403
null
6.489
null
90
null
93.23
null
90
null
547.5
null
null
null
null
null
null
null
null
null
3
I 1 a 1
I -2ya
9
Magnesium nickel hydride (2/1/4)
- H4 Mg2 Ni -
- H4.0002 Mg2 Ni -
- H32.0016 Mg16 Ni8 -
8
2
Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B
Etude structurale du systeme Mg~2~Ni-H~2~ III- la variete monoclinique de Mg~2~ Ni H~4~
Materials Research Bulletin
1,984
19
1119
1128
10.1016/0025-5408(84)90061-8
null
0.098
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B Etude structurale du systeme Mg~2~Ni-H~2~ III- la variete monoclinique de Mg~2~ Ni H~4~ Materials Research Bulletin 19 (1984) 1119-1128
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/1/00/82/1008269.cif $ #-------------------------------------------------------------------...
1,008,270
13.34
0.01
7.16
0.005
6.939
0.005
90
null
100.14
null
90
null
652.4
null
null
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
14
Telluric acid dipotassium nitrate dihydrate
- H10 K2 N2 O14 Te -
- H10 K2 N2 O14 Te -
- H20 K4 N4 O28 Te2 -
2
0.5
Averbuch-Pouchot, M T
Crystal structure of Te(O H)~6~ * 2 K N O~3~ * 2 H~2~ O: an addition compound of telluric acid
Zeitschrift fuer Kristallographie (149,1979-)
1,984
167
247
252
null
0.023
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Averbuch-Pouchot, M T Crystal structure of Te(O H)~6~ * 2 K N O~3~ * 2 H~2~ O: an addition compound of telluric acid Zeitschrift fuer Kristallographie (149,1979-) 167 (1984) 247-252
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/1/00/82/1008270.cif $ #-------------------------------------------------------------------...
1,008,271
5.271
null
5.271
null
8.579
null
90
null
90
null
120
null
206.4
null
null
null
null
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
Titanium manganese deuteride (1.2/1.8/3.1)
- D3.13 Mn1.8 Ti1.2 -
- D3.132 Mn1.8 Ti1.2 -
- D12.528 Mn7.2 Ti4.8 -
4
0.166667
Fruchart, D; Soubeyroux, J L; Hempelmann, R
Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects
Journal of the Less-Common Metals
1,984
99
307
319
10.1016/0022-5088(84)90229-7
null
0.023
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fruchart, D; Soubeyroux, J L; Hempelmann, R Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects Journal of the Less-Common Metals 99 (1984) 307-319
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/1/00/82/1008271.cif $ #-------------------------------------------------------------------...
1,008,272
5.258
null
5.258
null
8.577
null
90
null
90
null
120
null
205.4
null
null
null
null
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
Titanium manganese deuteride (1.2/1.8/3.01)
- D3.01 Mn1.8 Ti1.2 -
- D3.012 Mn1.8 Ti1.2 -
- D12.048 Mn7.2 Ti4.8 -
4
0.166667
Fruchart, D; Soubeyroux, J L; Hempelmann, R
Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects
Journal of the Less-Common Metals
1,984
99
307
319
10.1016/0022-5088(84)90229-7
null
0.02
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fruchart, D; Soubeyroux, J L; Hempelmann, R Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects Journal of the Less-Common Metals 99 (1984) 307-319
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/1/00/82/1008272.cif $ #-------------------------------------------------------------------...
7,015,540
13.6786
0.0003
17.2699
0.0004
11.9272
0.0002
90
null
100.519
0.002
90
null
2,770.19
0.1
100
2
100
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C56 H68 Br4 N8 Ni4 O12 -
- C56 H46 Br4 N8 Ni4 O12 -
- C112 H92 Br8 N16 Ni8 O24 -
2
0.5
Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S.
High-spin Ni(II) clusters: triangles and planar tetranuclear complexes.
Dalton transactions (Cambridge, England : 2003)
2,011
40
17
4590
4598
10.1039/c0dt01705a
0.71073
MoKα
0.0603
0.0488
null
null
0.1302
0.1338
null
null
null
null
null
1.05
null
null
has coordinates
Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S. High-spin Ni(II) clusters: triangles and planar tetranuclear complexes. Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4590-4598
179,859
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $ #$Revision: 179859 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/01/55/7015540.cif $ #-------------------------------------------------------------------...
1,008,273
5.257
null
5.257
null
8.576
null
90
null
90
null
120
null
205.3
null
null
null
null
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
Titanium manganese deuteride (1.2/1.8/3)
- D3 Mn1.8 Ti1.2 -
- D3 Mn1.8 Ti1.2 -
- D12 Mn7.2 Ti4.8 -
4
0.166667
Fruchart, D; Soubeyroux, J L; Hempelmann, R
Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects
Journal of the Less-Common Metals
1,984
99
307
319
10.1016/0022-5088(84)90229-7
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fruchart, D; Soubeyroux, J L; Hempelmann, R Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects Journal of the Less-Common Metals 99 (1984) 307-319
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/1/00/82/1008273.cif $ #-------------------------------------------------------------------...
1,008,274
5.254
null
5.254
null
8.572
null
90
null
90
null
120
null
204.9
null
null
null
null
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
Titanium manganese deuteride (1.2/1.8/3.02)
- D3.02 Mn1.8 Ti1.2 -
- D3.09 Mn1.8 Ti1.2 -
- D12.36 Mn7.2 Ti4.8 -
4
0.166667
Fruchart, D; Soubeyroux, J L; Hempelmann, R
Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects
Journal of the Less-Common Metals
1,984
99
307
319
10.1016/0022-5088(84)90229-7
null
0.076
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fruchart, D; Soubeyroux, J L; Hempelmann, R Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects Journal of the Less-Common Metals 99 (1984) 307-319
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/1/00/82/1008274.cif $ #-------------------------------------------------------------------...
1,008,275
5.254
null
5.254
null
8.572
null
90
null
90
null
120
null
204.9
null
null
null
null
null
null
null
null
null
3
P 63/m m c
-P 6c 2c
194
Titanium manganese deuteride (1.2/1.8/3.13)
- D3.13 Mn1.8 Ti1.2 -
- D3.132 Mn1.8 Ti1.2 -
- D12.528 Mn7.2 Ti4.8 -
4
0.166667
Fruchart, D; Soubeyroux, J L; Hempelmann, R
Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects
Journal of the Less-Common Metals
1,984
99
307
319
10.1016/0022-5088(84)90229-7
null
0.031
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fruchart, D; Soubeyroux, J L; Hempelmann, R Neutron diffraction in Ti~1.2~ Mn~1.8~ deuteride. Structural and magnetic aspects Journal of the Less-Common Metals 99 (1984) 307-319
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/1/00/82/1008275.cif $ #-------------------------------------------------------------------...