file
int64
a
float64
siga
float64
b
float64
sigb
float64
c
float64
sigc
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alpha
float64
sigalpha
float64
beta
float64
sigbeta
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gamma
float64
siggamma
float64
vol
float64
sigvol
float64
celltemp
float64
sigcelltemp
float64
diffrtemp
float64
sigdiffrtemp
float64
cellpressure
float64
sigcellpressure
float64
diffrpressure
float64
sigdiffrpressure
float64
thermalhist
string
pressurehist
string
compoundsource
string
nel
string
sg
string
sgHall
string
sgNumber
int64
commonname
string
chemname
string
mineral
string
formula
string
calcformula
string
cellformula
string
Z
int64
Zprime
float64
acce_code
string
authors
string
title
string
journal
string
year
int64
volume
int64
issue
string
firstpage
string
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string
doi
string
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
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float64
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int64
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1,001,647
10.7807
0.0004
10.7807
0.0004
3.8987
0.0003
90
null
90
null
90
null
453.1
null
null
null
null
null
null
null
null
null
5
P 4/m b m
-P 4 2ab
127
Lanthanum strontium copper iron oxide (4.4/3.6/6/2/20)
- Cu6 Fe2 La4.4 O20 Sr3.6 -
- Cu6 Fe2 La4.4 O20 Sr3.6 -
- Cu6 Fe2 La4.4 O20 Sr3.6 -
1
0.0625
Genouel, R; Michel, C; Nguyen, N; Hervieu, M; Raveau, B
Ordered substitution of iron for copper in the tetragonal perovskite La6.4 Sr1.6 Cu8 O20
Journal of Solid State Chemistry
1,995
115
469
475
10.1006/jssc.1995.1161
null
0.05
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Genouel, R; Michel, C; Nguyen, N; Hervieu, M; Raveau, B Ordered substitution of iron for copper in the tetragonal perovskite La6.4 Sr1.6 Cu8 O20 Journal of Solid State Chemistry 115 (1995) 469-475
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/1/00/16/1001647.cif $ #-------------------------------------------------------------------...
1,001,648
3.8785
0.0002
3.8785
0.0002
7.5441
0.0004
90
null
90
null
90
null
113.5
null
null
null
null
null
null
null
null
null
6
P 4/m m m
-P 4 2
123
Yttrium barium cobalt copper iron oxide (1/1/1/0.5/0.5/5)
- Ba Co Cu0.5 Fe0.5 O5 Y -
- Ba Co Cu0.5 Fe0.5 O5 Y -
- Ba Co Cu0.5 Fe0.5 O5 Y -
1
0.0625
Barbey, L; Nguyen, N; Ducouret, A; Caignaert, V; Greneche, J M; Raveau, B
Magnetic behaviour of the "112" type substituted cuprate Y Ba Co Cu1-x Fex O5
Journal of Solid State Chemistry
1,995
115
514
520
10.1006/jssc.1995.1167
null
0.02
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Barbey, L; Nguyen, N; Ducouret, A; Caignaert, V; Greneche, J M; Raveau, B Magnetic behaviour of the "112" type substituted cuprate Y Ba Co Cu1-x Fex O5 Journal of Solid State Chemistry 115 (1995) 514-520
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/1/00/16/1001648.cif $ #-------------------------------------------------------------------...
1,001,649
11.546
0.001
8.548
0.001
8.779
0.001
90
null
114.39
0.01
90
null
789.1
null
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Silver divanadium(III) phosphate(V) diphosphate(V)
- Ag O11 P3 V2 -
- Ag O11 P3 V2 -
- Ag4 O44 P12 V8 -
4
0.5
Grandin, A; Leclaire, A; Borel, M M; Raveau, B
A V(III) phosphate built up from bioctahedral V2 O10 units: Ag V2 (P O4) P2 O7
Journal of Solid State Chemistry
1,995
115
521
524
10.1006/jssc.1995.1168
null
0.022
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Grandin, A; Leclaire, A; Borel, M M; Raveau, B A V(III) phosphate built up from bioctahedral V2 O10 units: Ag V2 (P O4) P2 O7 Journal of Solid State Chemistry 115 (1995) 521-524
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/1/00/16/1001649.cif $ #-------------------------------------------------------------------...
1,001,650
3.8642
0.0001
3.8642
0.0001
29.56799
0.001
90
null
90
null
90
null
441.5
null
null
null
null
null
null
null
null
null
6
I 4/m m m
-I 4 2
139
Mercury thallium(III) strontium praseodymium copper oxide (0.3/0.7/2/2/2/9)
- Cu2 Hg0.3 O9 Pr2 Sr2 Tl0.7 -
- Cu2 Hg0.3 O9 Pr2 Sr2 Tl0.7 -
- Cu4 Hg0.6 O18 Pr4 Sr4 Tl1.4 -
2
0.0625
Hervieu, M; Van Tendeloo, G; Michel, C; Martin, C; Maignan, A; Raveau, B
Synthesis and characterization of mercury-based "1222" cuprates (Hg1-x Mx) (Sr,Ba)2 Pr2 Cu2 O9-d
Journal of Solid State Chemistry
1,995
115
525
531
10.1006/jssc.1995.1169
null
0.09
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hervieu, M; Van Tendeloo, G; Michel, C; Martin, C; Maignan, A; Raveau, B Synthesis and characterization of mercury-based "1222" cuprates (Hg1-x Mx) (Sr,Ba)2 Pr2 Cu2 O9-d Journal of Solid State Chemistry 115 (1995) 525-531
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/1/00/16/1001650.cif $ #-------------------------------------------------------------------...
7,151,748
13.0912
0.0007
13.0912
0.0007
23.1759
0.0012
90
null
90
null
90
null
3,971.9
0.4
150
2
150
2
null
null
null
null
5
I 41 c d
I 4bw -2c
110
- C11 H5 F4 N O -
- C11 H5 F4 N O -
- C176 H80 F64 N16 O16 -
16
1
Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.
Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.
Organic & biomolecular chemistry
2,011
9
7
2294
2305
10.1039/c0ob00790k
0.71073
MoKα
0.0336
0.0305
null
null
0.0824
0.0849
null
null
null
null
null
1.058
null
null
has coordinates
Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W. Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides. Organic & biomolecular chemistry 9(7) (2011) 2294-2305
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151748.cif $ #-------------------------------------------------------------------...
1,001,651
7.747
0.001
11.149
0.001
7.611
0.001
90
null
90
null
90
null
657.4
null
null
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
Trilanthanum catena-pentaoxoniobate dioxide
- La3 Nb O7 -
- La3 Nb O7 -
- La12 Nb4 O28 -
4
0.5
Kahn-Harari, A; Mazerolles, L; Michel, D; Robert, F
Structural description of La3 Nb O7
Journal of Solid State Chemistry
1,995
116
103
106
10.1006/jssc.1995.1189
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kahn-Harari, A; Mazerolles, L; Michel, D; Robert, F Structural description of La3 Nb O7 Journal of Solid State Chemistry 116 (1995) 103-106
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/1/00/16/1001651.cif $ #-------------------------------------------------------------------...
1,001,652
3.7352
0.0002
7.5749
0.0003
17.9657
0.0007
90
null
90
null
90
null
508.3
null
null
null
null
null
null
null
null
null
6
A m m m
-A 2 2
65
Mercury cerium strontium lanthanum copper oxide (0.4/0.5/1.4/1.6/1.1/5)
- Ce0.5 Cu1.1 Hg0.4 La0.6 O5 Sr1.4 -
- Ce0.5 Cu1.1 Hg0.4 La0.6 O5 Sr1.4 -
- Ce2 Cu4.4 Hg1.6 La2.4 O20 Sr5.6 -
4
0.25
Maignan, A; Martin, C; Michel, C; Hervieu, M; Raveau, B
A new "1201" mercury-based cuprate with Hg Ce mixed layers: the oxide Hg0.4 Ce0.5 Cu0.1 Sr2-x Lax Cu O4+d
Journal of Solid State Chemistry
1,995
116
347
354
10.1006/jssc.1995.1225
null
0.08
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maignan, A; Martin, C; Michel, C; Hervieu, M; Raveau, B A new "1201" mercury-based cuprate with Hg Ce mixed layers: the oxide Hg0.4 Ce0.5 Cu0.1 Sr2-x Lax Cu O4+d Journal of Solid State Chemistry 116 (1995) 347-354
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/1/00/16/1001652.cif $ #-------------------------------------------------------------------...
1,001,653
8.211
0.001
5.2757
0.0006
7.816
0.002
90
null
94.778
0.001
90
null
337.4
null
null
null
null
null
null
null
null
null
4
C 1 2/m 1
-C 2y
12
Barium phyllo-bis(phosphato)molybdate
- Ba Mo O8 P2 -
- Ba Mo O8 P2 -
- Ba2 Mo2 O16 P4 -
2
0.25
Leclaire, A; Borel, M M; Chardon, J; Raveau, B
A Mo(IV) monophosphate, Ba Mo (P O4)2, with the yavapaiite layer structure
Journal of Solid State Chemistry
1,995
116
364
368
10.1006/jssc.1995.1227
null
0.03
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Borel, M M; Chardon, J; Raveau, B A Mo(IV) monophosphate, Ba Mo (P O4)2, with the yavapaiite layer structure Journal of Solid State Chemistry 116 (1995) 364-368
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/1/00/16/1001653.cif $ #-------------------------------------------------------------------...
1,001,654
7.6799
0.0005
11.5549
0.0007
8.8795
0.0004
90
null
90
null
90
null
788
null
null
null
null
null
null
null
null
null
6
P m a m
-P 2 2a
51
Mercury bismuth(V) heptastrontium dicopper antimony(V) oxide
- Bi Cu2 Hg O15 Sb Sr7 -
- Bi Cu2 Hg O15 Sb Sr7 -
- Bi2 Cu4 Hg2 O30 Sb2 Sr14 -
2
0.25
Pelloquin, D; Hervieu, M; Michel, C; Caldes, M; Raveau, B
Double cationic ordering in the "1201" substituted type cuprate Hg Bi Sr7 Cu2 Sb O15
Journal of Solid State Chemistry
1,995
116
53
60
10.1006/jssc.1995.1181
null
0.065
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pelloquin, D; Hervieu, M; Michel, C; Caldes, M; Raveau, B Double cationic ordering in the "1201" substituted type cuprate Hg Bi Sr7 Cu2 Sb O15 Journal of Solid State Chemistry 116 (1995) 53-60
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/1/00/16/1001654.cif $ #-------------------------------------------------------------------...
1,001,655
10.047
0.002
8.655
0.001
11.597
0.002
90
null
104.27
0.01
90
null
977.3
null
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
Caesium phyllo-bis(phosphato)trioxodimolybdate
- Cs Mo2 O11 P2 -
- Cs Mo2 O11 P2 -
- Cs4 Mo8 O44 P8 -
4
1
Hoareau, T; Leclaire, A; Borel, M M; Grandin, A; Raveau, B
A mixed valent molybdenum monophosphate with a layer structure: Cs Mo2 O3 (P O4)2
Journal of Solid State Chemistry
1,995
116
87
91
10.1006/jssc.1995.1186
null
0.037
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hoareau, T; Leclaire, A; Borel, M M; Grandin, A; Raveau, B A mixed valent molybdenum monophosphate with a layer structure: Cs Mo2 O3 (P O4)2 Journal of Solid State Chemistry 116 (1995) 87-91
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/1/00/16/1001655.cif $ #-------------------------------------------------------------------...
7,151,747
12.294
0.004
4.9467
0.0014
20.381
0.006
90
null
101.322
0.004
90
null
1,215.3
0.6
93
2
93
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C16 H12 N2 O -
- C16 H12 N2 O -
- C64 H48 N8 O4 -
4
1
Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi
Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization.
Organic & biomolecular chemistry
2,011
9
8
2702
2714
10.1039/c0ob00783h
0.71073
MoKα
0.0715
0.0453
null
null
0.0937
0.1044
null
null
null
null
null
0.999
null
null
has coordinates
Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization. Organic & biomolecular chemistry 9(8) (2011) 2702-2714
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151747.cif $ #-------------------------------------------------------------------...
1,001,656
14.192
0.001
6.424
0.001
7.317
0.001
90
null
90
null
90
null
667.1
null
null
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
Calcium divanadium(III) oxide diphosphate
- Ca O9 P2 V2 -
- Ca O9 P2 V2 -
- Ca4 O36 P8 V8 -
4
0.5
Boudin, S; Grandin, A; Leclaire, A; Borel, M - M; Raveau, B
Ca V2 O (P O4)2, isotypic with the Cd phase
Acta Crystallographica C (39,1983-)
1,995
51
796
798
null
0.03
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boudin, S; Grandin, A; Leclaire, A; Borel, M - M; Raveau, B Ca V2 O (P O4)2, isotypic with the Cd phase Acta Crystallographica C (39,1983-) 51 (1995) 796-798
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/1/00/16/1001656.cif $ #-------------------------------------------------------------------...
1,001,657
3.8271
0.0007
3.8271
0.0007
12.385
0.003
90
null
90
null
90
null
181.4
null
null
null
null
null
null
null
null
null
6
P 4/m m m
-P 4 2
123
Thallium(III) barium strontium calcium copper oxide (1.2/1/0.96/0.8/2/7)
- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -
- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -
- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -
1
0.0625
Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B
Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d
Acta Crystallographica B (39,1983-)
1,995
51
18
22
null
0.025
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d Acta Crystallographica B (39,1983-) 51 (1995) 18-22
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/1/00/16/1001657.cif $ #-------------------------------------------------------------------...
1,001,658
3.8356
0.0007
3.8356
0.0007
12.39
0.003
90
null
90
null
90
null
182.3
null
null
null
null
null
null
null
null
null
6
P 4/m m m
-P 4 2
123
Thallium(III) barium strontium calcium copper oxide (1.2/1/0.96/0.8/2/7)
- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -
- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -
- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -
1
0.0625
Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B
Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d
Acta Crystallographica B (39,1983-)
1,995
51
18
22
null
0.024
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d Acta Crystallographica B (39,1983-) 51 (1995) 18-22
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/1/00/16/1001658.cif $ #-------------------------------------------------------------------...
1,001,659
3.8234
0.0009
3.8234
0.0009
12.384
0.004
90
null
90
null
90
null
181
null
null
null
null
null
null
null
null
null
6
P 4/m m m
-P 4 2
123
Thallium(III) barium strontium calcium copper oxide (1.2/1/0.96/0.8/2/7)
- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -
- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -
- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -
1
0.0625
Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B
Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d
Acta Crystallographica B (39,1983-)
1,995
51
18
22
null
0.028
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d Acta Crystallographica B (39,1983-) 51 (1995) 18-22
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/1/00/16/1001659.cif $ #-------------------------------------------------------------------...
1,001,660
8.0058
0.0004
8.0058
0.0004
8.0058
0.0004
90
null
90
null
90
null
513.1
null
null
null
null
null
null
null
null
null
4
F m -3 m
-F 4 2 3
225
Dilead magnesium tungstate - I
- Mg O6 Pb2 W -
- Mg O6 Pb1.9992 W -
- Mg4 O24 Pb7.9968 W4 -
4
0.020833
Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D.
Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6
Acta Crystallographica B (39,1983-)
1,995
51
5
668
673
10.1107/S0108768194014047
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D. Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6 Acta Crystallographica B (39,1983-) 51(5) (1995) 668-673
188,422
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-11-14 04:19:24 +0200 (Mon, 14 Nov 2016) $ #$Revision: 188422 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/16/1001660.cif $ #-------------------------------------------------------------------...
7,151,746
16.927
0.003
12.667
0.003
18.063
0.004
90
null
90
null
90
null
3,873
1.4
293
2
293
2
null
null
null
null
4
P n a 21
P 2c -2n
33
- C24 H17 N2 O3 -
- C24 H17 N2 O3 -
- C192 H136 N16 O24 -
8
2
Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi
Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization.
Organic & biomolecular chemistry
2,011
9
8
2702
2714
10.1039/c0ob00783h
0.71073
MoKα
0.1151
0.057
null
null
0.1081
0.1233
null
null
null
null
null
0.977
null
null
has coordinates
Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization. Organic & biomolecular chemistry 9(8) (2011) 2702-2714
180,303
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 15:31:30 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180303 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151746.cif $ #-------------------------------------------------------------------...
1,001,661
7.944
0.0004
5.6866
0.0003
11.4059
0.0004
90
null
90
null
90
null
515.3
null
null
null
null
null
null
null
null
null
4
P m c n
-P 2n 2a
62
Dilead magnesium tungstate - II
- Mg O6 Pb2 W -
- Mg O6 Pb2 W -
- Mg4 O24 Pb8 W4 -
4
0.5
Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D
Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6
Acta Crystallographica B (39,1983-)
1,995
51
668
673
null
0.04
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6 Acta Crystallographica B (39,1983-) 51 (1995) 668-673
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/1/00/16/1001661.cif $ #-------------------------------------------------------------------...
1,001,662
7.9041
0.0003
5.7035
0.0002
11.4442
0.0004
90
null
90
null
90
null
515.9
null
null
null
null
null
null
null
null
null
4
P m c n
-P 2n 2a
62
Dilead magnesium tungstate - II
- Mg O6 Pb2 W -
- Mg O6 Pb2 W -
- Mg4 O24 Pb8 W4 -
4
0.5
Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D
Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6
Acta Crystallographica B (39,1983-)
1,995
51
668
673
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6 Acta Crystallographica B (39,1983-) 51 (1995) 668-673
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/1/00/16/1001662.cif $ #-------------------------------------------------------------------...
1,001,663
5.596
0.001
10.29
0.02
3.806
0.001
90
null
90
null
90
null
219.2
null
null
null
null
null
null
null
null
null
3
P b a m
-P 2 2ab
55
Neodymium copper oxide (1/1/2.5)
- Cu Nd O2.5 -
- Cu Nd O2.5 -
- Cu4 Nd4 O10 -
4
0.5
Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B
High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5)
Inorganic Chemistry
1,995
34
2077
2083
10.1021/ic00112a020
null
0.093
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5) Inorganic Chemistry 34 (1995) 2077-2083
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/1/00/16/1001663.cif $ #-------------------------------------------------------------------...
1,001,664
8.56
0.002
8.534
0.002
3.777
0.001
90
null
90
null
90.45
0.05
275.9
null
null
null
null
null
null
null
null
null
3
P 1 1 2/m
-P 2
10
Neodymium copper oxide (1/1/2.6)
- Cu Nd O2.6 -
- Cu Nd O2.6 -
- Cu5 Nd5 O13 -
5
1.25
Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B
High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5)
Inorganic Chemistry
1,995
34
2077
2083
10.1021/ic00112a020
null
0.054
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5) Inorganic Chemistry 34 (1995) 2077-2083
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/1/00/16/1001664.cif $ #-------------------------------------------------------------------...
1,001,665
5.334
0.001
6.308
0.001
7.196
0.002
90
null
90
null
90
null
242.1
null
null
null
null
null
null
null
null
null
3
P b n m
-P 2c 2ab
62
Neodymium copper oxide (1/1/2.9)
- Cu Nd O2.93 -
- Cu Nd O2.931 -
- Cu4 Nd4 O11.724 -
4
0.5
Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B
High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5)
Inorganic Chemistry
1,995
34
2077
2083
10.1021/ic00112a020
null
0.08
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5) Inorganic Chemistry 34 (1995) 2077-2083
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/1/00/16/1001665.cif $ #-------------------------------------------------------------------...
7,151,745
7.3627
0.0009
9.589
0.0009
11.7822
0.0019
69.895
0.012
73.702
0.012
79.988
0.009
746.99
0.18
130
2
130
2
null
null
null
null
5
P -1
-P 1
2
- C11 H13 N3 O9 S -
- C11 H13 N3 O9 S -
- C22 H26 N6 O18 S2 -
2
1
Yoo, Ellie Jung-Hwa; Feketeová, Linda; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J
Structure and unimolecular chemistry of protonated sulfur betaines, (CH3)2S(+)(CH2)(n)CO2H (n = 1 and 2).
Organic & biomolecular chemistry
2,011
9
8
2751
2759
10.1039/c0ob00770f
1.54184
CuKα
0.1143
0.0543
null
null
0.1045
0.12
null
null
null
null
null
0.777
null
null
has coordinates
Yoo, Ellie Jung-Hwa; Feketeová, Linda; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J Structure and unimolecular chemistry of protonated sulfur betaines, (CH3)2S(+)(CH2)(n)CO2H (n = 1 and 2). Organic & biomolecular chemistry 9(8) (2011) 2751-2759
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151745.cif $ #-------------------------------------------------------------------...
1,001,666
3.7966
0.0003
3.7966
0.0003
12.092
0.001
90
null
90
null
90
null
174.3
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Thallium strontium calcium copper oxide (1.2/2/0.8/2/7)
- Ca0.81 Cu2 O7 Sr2 Tl1.19 -
- Ca0.81 Cu2 O7 Sr2 Tl1.19 -
- Ca0.81 Cu2 O7 Sr2 Tl1.19 -
1
0.0625
Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B
Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d
Chemistry of Materials (1,1989-
1,995
7
1414
1418
10.1021/cm00055a021
null
0.035
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d Chemistry of Materials (1,1989- 7 (1995) 1414-1418
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/1/00/16/1001666.cif $ #-------------------------------------------------------------------...
1,001,667
3.7808
0.0005
3.7808
0.0005
12.0855
0.0012
90
null
90
null
90
null
172.8
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Thallium strontium calcium copper oxide (1.2/2/0.8/2/7)
- Ca0.81 Cu2 O7 Sr2 Tl1.19 -
- Ca0.81 Cu2 O7 Sr2 Tl1.19 -
- Ca0.81 Cu2 O7 Sr2 Tl1.19 -
1
0.0625
Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B
Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d
Chemistry of Materials (1,1989-
1,995
7
1414
1418
10.1021/cm00055a021
null
0.032
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d Chemistry of Materials (1,1989- 7 (1995) 1414-1418
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/1/00/16/1001667.cif $ #-------------------------------------------------------------------...
1,001,668
10.41
0.003
20.5
0.006
19.48
0.005
90
null
98.8
0.1
90
null
4,108.2
null
null
null
null
null
null
null
null
null
2
C 1 m 1
C -2y
8
Carbon cyclo-octasulfur (76.6/6)
- C76.039 S48 -
- C76.59 S48 -
- C153.18 S96 -
2
0.5
Michel, R H; Kappes, M M; Adelmann, P; Roth, G
Preparation and Crystal Structure of C76(S8)6: A First Step towards the Crystallography of Higher Fullerenes
Angewandte Chemie (German Edition)
1,994
106
1742
1746
null
0.0634
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Michel, R H; Kappes, M M; Adelmann, P; Roth, G Preparation and Crystal Structure of C76(S8)6: A First Step towards the Crystallography of Higher Fullerenes Angewandte Chemie (German Edition) 106 (1994) 1742-1746
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/1/00/16/1001668.cif $ #-------------------------------------------------------------------...
1,001,669
4.848
0.001
6.892
0.001
8.077
0.002
92.65
0.01
93.26
0.01
106.23
0.01
258.2
null
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
Mercury divanadium(III) bis(diphosphate)
- Hg O14 P4 V2 -
- Hg O14 P4 V2 -
- Hg O14 P4 V2 -
1
0.5
Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B
Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases
Journal of Materials Chemistry
1,994
4
12
1889
1892
10.1039/jm9940401889
null
0.027
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases Journal of Materials Chemistry 4(12) (1994) 1889-1892
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/1/00/16/1001669.cif $ #-------------------------------------------------------------------...
1,001,670
4.804
0.001
7.113
0.001
7.898
0.002
89.78
0.01
92.62
0.01
106.1
0.02
259
null
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
Lead divanadium(III) bis(diphosphate)
- O14 P4 Pb V2 -
- O14 P4 Pb V2 -
- O14 P4 Pb V2 -
1
0.5
Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B
Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases
Journal of Materials Chemistry
1,994
4
12
1889
1892
10.1039/jm9940401889
null
0.033
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases Journal of Materials Chemistry 4(12) (1994) 1889-1892
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/1/00/16/1001670.cif $ #-------------------------------------------------------------------...
7,151,744
7.0225
0.0008
7.3868
0.0008
13.8536
0.0015
90
null
100.912
0.002
90
null
705.65
0.13
130
2
130
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C4 H9 Cl O2 S -
- C4 H9 Cl O2 S -
- C16 H36 Cl4 O8 S4 -
4
1
Yoo, Ellie Jung-Hwa; Feketeová, Linda; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J
Structure and unimolecular chemistry of protonated sulfur betaines, (CH3)2S(+)(CH2)(n)CO2H (n = 1 and 2).
Organic & biomolecular chemistry
2,011
9
8
2751
2759
10.1039/c0ob00770f
0.71073
MoKα
0.0288
0.0269
null
null
0.0753
0.0768
null
null
null
null
null
1.097
null
null
has coordinates
Yoo, Ellie Jung-Hwa; Feketeová, Linda; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J Structure and unimolecular chemistry of protonated sulfur betaines, (CH3)2S(+)(CH2)(n)CO2H (n = 1 and 2). Organic & biomolecular chemistry 9(8) (2011) 2751-2759
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151744.cif $ #-------------------------------------------------------------------...
1,001,671
4.237
0.001
3.7675
0.0006
11.917
0.007
90
null
90
null
90
null
190.2
null
null
null
null
null
null
null
null
null
3
I m m m
-I 2 2
71
Neodymium copper oxide (2/1/3.5)
- Cu Nd2 O3.5 -
- Cu Nd2 O3.5 -
- Cu2 Nd4 O7 -
2
0.125
Choisnet, J; Mouron, M; Crespin, M; van Aken, P A; Mueller, W F
Perovskite-like intergrowth structure of the reduced cuprate Nd2 Cu O3.5: a combination of defect and excess oxygen non-stoichiometry phenomena
Journal of Materials Chemistry
1,994
4
6
895
898
10.1039/jm9940400895
null
0.061
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Choisnet, J; Mouron, M; Crespin, M; van Aken, P A; Mueller, W F Perovskite-like intergrowth structure of the reduced cuprate Nd2 Cu O3.5: a combination of defect and excess oxygen non-stoichiometry phenomena Journal of Materials Chemistry 4(6) (1994) 895-898
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/1/00/16/1001671.cif $ #-------------------------------------------------------------------...
1,001,672
3.811
0.004
3.811
0.004
12.78
0.002
90
null
90
null
90
null
185.6
null
null
null
null
null
null
null
null
null
4
P 4/m m m
-P 4 2
123
Thallium strontium iron oxide (1/3/2/8)
- Fe2 O8 Sr3 Tl0.95 -
- Fe2 O8 Sr3 Tl0.95 -
- Fe2 O8 Sr3 Tl0.95 -
1
0.0625
Daniel, P; Barbey, L; Nguyen, N; Ducouret, A; Groult, D; Raveau, B
New mixed-valent iron oxides with the 1212-type structure: Tl1-x Pbx Sr3 Fe2 O8
Journal of Physics and Chemistry of Solids
1,994
55
9
795
802
10.1016/0022-3697(94)90002-7
null
0.076
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Daniel, P; Barbey, L; Nguyen, N; Ducouret, A; Groult, D; Raveau, B New mixed-valent iron oxides with the 1212-type structure: Tl1-x Pbx Sr3 Fe2 O8 Journal of Physics and Chemistry of Solids 55(9) (1994) 795-802
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/1/00/16/1001672.cif $ #-------------------------------------------------------------------...
1,001,673
3.818
0.0004
3.818
0.0004
12.834
0.002
90
null
90
null
90
null
187.1
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Thallium lead strontium iron oxide (0.5/0.5/3/2/8)
- Fe2 O8 Pb0.485 Sr3 Tl0.485 -
- Fe2 O8 Pb0.4852 Sr3 Tl0.4852 -
- Fe2 O8 Pb0.4852 Sr3 Tl0.4852 -
1
0.0625
Daniel, P; Barbey, L; Nguyen, N; Ducouret, A; Groult, D; Raveau, B
New mixed-valent iron oxides with the 1212-type structure: Tl1-x Pbx Sr3 Fe2 O8
Journal of Physics and Chemistry of Solids
1,994
55
9
795
802
10.1016/0022-3697(94)90002-7
null
0.067
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Daniel, P; Barbey, L; Nguyen, N; Ducouret, A; Groult, D; Raveau, B New mixed-valent iron oxides with the 1212-type structure: Tl1-x Pbx Sr3 Fe2 O8 Journal of Physics and Chemistry of Solids 55(9) (1994) 795-802
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/1/00/16/1001673.cif $ #-------------------------------------------------------------------...
1,001,674
5.882
0.002
5.882
0.002
14.237
0.008
90
null
90
null
120
null
426.6
null
null
null
null
null
null
null
null
null
5
P -3 m 1
-P 3 2"
164
Barium antimony nickel iron(III) oxide (2/2/3/8/22)
- Ba2 Fe8 Ni3 O22 Sb2 -
- Ba2 Fe8 Ni3.01 O22 Sb1.99 -
- Ba2 Fe8 Ni3.01 O22 Sb1.99 -
1
0.083333
Fuchs, G; Nguyen, N; Greneche, J M; Groult, D; Raveau, B
Antiferromagnetic 6L-Hexagonal ferrites, Ba2 Sb2 M3 Fe8 O22 (M = Zn, Mg, Ni, Co)
Journal of Solid State Chemistry
1,986
61
223
229
10.1016/0022-4596(86)90025-3
null
0.067
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fuchs, G; Nguyen, N; Greneche, J M; Groult, D; Raveau, B Antiferromagnetic 6L-Hexagonal ferrites, Ba2 Sb2 M3 Fe8 O22 (M = Zn, Mg, Ni, Co) Journal of Solid State Chemistry 61 (1986) 223-229
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/1/00/16/1001674.cif $ #-------------------------------------------------------------------...
7,151,743
5.4962
0.001
14.702
0.003
14.657
0.003
90
null
100.037
0.003
90
null
1,166.2
0.4
293
2
293
2
null
null
null
null
5
P 1 21 1
P 2yb
4
- C27 H22 Br N O4 -
- C27 H22 Br N O4 -
- C54 H44 Br2 N2 O8 -
2
1
Li, Wenjun; Wu, Wenbin; Yu, Feng; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing
Catalytic asymmetric Michael addition with curcumin derivative.
Organic & biomolecular chemistry
2,011
9
7
2505
2511
10.1039/c0ob00757a
0.71073
MoKα
0.0803
0.059
null
null
0.1375
0.1467
null
null
null
null
null
0.938
null
null
has coordinates,has disorder
Li, Wenjun; Wu, Wenbin; Yu, Feng; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing Catalytic asymmetric Michael addition with curcumin derivative. Organic & biomolecular chemistry 9(7) (2011) 2505-2511
301,861
2025-08-22
11:11:51
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151743.cif $ #-------------------------------------------------------------------...
1,001,675
8.754
0.002
5.11
0.001
14.28
0.003
90
null
101.8
0.02
90
null
625.3
null
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
Iron(III) trigermanate
- Fe8 Ge3 O18 -
- Fe8 Ge3 O18 -
- Fe16 Ge6 O36 -
2
0.5
Agafonov, V; Kahn, A; Michel, D; Perez y Jorba, M
Structural investigation of a new iron germanate Fe8 Ge3 O18
Journal of Solid State Chemistry
1,986
62
397
401
10.1016/0022-4596(86)90255-0
null
0.039
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Agafonov, V; Kahn, A; Michel, D; Perez y Jorba, M Structural investigation of a new iron germanate Fe8 Ge3 O18 Journal of Solid State Chemistry 62 (1986) 397-401
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/1/00/16/1001675.cif $ #-------------------------------------------------------------------...
1,001,676
7.132
0.001
7.741
0.001
9.702
0.002
90
null
110.62
0.02
90
null
501.3
null
null
null
null
null
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
Dialuminium digermanate
- Al2 Ge2 O7 -
- Al2 Ge2 O7 -
- Al8 Ge8 O28 -
4
0.5
Agafonov, V; Kahn, A; Michel, D; Perez y Jorba, M
Crystal structure of a new digermanate: Al2 Ge2 O7
Journal of Solid State Chemistry
1,986
62
402
404
10.1016/0022-4596(86)90256-2
null
0.051
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Agafonov, V; Kahn, A; Michel, D; Perez y Jorba, M Crystal structure of a new digermanate: Al2 Ge2 O7 Journal of Solid State Chemistry 62 (1986) 402-404
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/1/00/16/1001676.cif $ #-------------------------------------------------------------------...
1,001,677
3.895
null
3.895
null
11.727
null
90
null
90
null
90
null
177.9
null
null
null
null
null
null
null
null
null
4
P 4/m m m
-P 4 2
123
Lanthanum barium copper oxide (1/2/3/6.7)
- Ba2 Cu3 La O6.7 -
- Ba2 Cu3 La O6.65 -
- Ba2 Cu3 La O6.65 -
1
0.0625
Hervieu, M; Nguyen, N; Michel, C; Deslandes, F; Raveau, B
A preliminary X-ray diffraction study of the tetragonal superconducting oxide La Ba2 Cu3 O7-d
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)
1,987
305
1063
1068
null
0.059
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hervieu, M; Nguyen, N; Michel, C; Deslandes, F; Raveau, B A preliminary X-ray diffraction study of the tetragonal superconducting oxide La Ba2 Cu3 O7-d Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 305 (1987) 1063-1068
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/1/00/16/1001677.cif $ #-------------------------------------------------------------------...
1,001,678
18.31819
0.0013
3.7828
0.0004
14.028
0.0016
90
null
115.211
0.0006
90
null
879.5
null
null
null
null
null
null
null
null
null
2
P 1 2/m 1
-P 2y
10
Tungsten oxide (18/49)
- O49 W18 -
- O49 W18 -
- O49 W18 -
1
0.25
Lamire, M; Labbe, P; Goreaud, M; Raveau, B
Refinement et nouvelle analyse de la structure de W18 O49
Revue de Chimie Minerale
1,987
24
369
381
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lamire, M; Labbe, P; Goreaud, M; Raveau, B Refinement et nouvelle analyse de la structure de W18 O49 Revue de Chimie Minerale 24 (1987) 369-381
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/1/00/16/1001678.cif $ #-------------------------------------------------------------------...
7,151,742
5.4822
0.0004
8.8469
0.0006
24.9538
0.0017
90
null
90
null
90
null
1,210.27
0.15
150
2
150
2
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C14 H16 O4 -
- C14 H16 O4 -
- C56 H64 O16 -
4
1
Nesbitt, Caroline L.; McErlean, Christopher S. P.
Total synthesis of C19 lipid diols containing a 2,5-disubstituted-3-oxygenated tetrahydrofuran.
Organic & biomolecular chemistry
2,011
9
7
2198
2208
10.1039/c0ob00754d
0.71073
MoKα
0.0334
0.0321
null
null
0.0895
0.0908
null
null
null
null
null
1.041
null
null
has coordinates
Nesbitt, Caroline L.; McErlean, Christopher S. P. Total synthesis of C19 lipid diols containing a 2,5-disubstituted-3-oxygenated tetrahydrofuran. Organic & biomolecular chemistry 9(7) (2011) 2198-2208
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151742.cif $ #-------------------------------------------------------------------...
1,001,679
3.911
0.002
3.911
0.002
17.85699
0.005
90
null
90
null
120
null
236.5
null
null
null
null
null
null
null
null
null
3
R -3 m :H
-R 3 2"
166
Disodium diuranate(VI)
- Na O3.5 U -
- Na O3.48 U0.9996 -
- Na3 O10.44 U2.9988 -
3
0.083333
Gasperin, M
Na2 U2 O7: Synthese et structure d'un monocristal
Journal of the Less-Common Metals
1,986
119
83
90
10.1016/0022-5088(86)90198-0
null
0.082
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gasperin, M Na2 U2 O7: Synthese et structure d'un monocristal Journal of the Less-Common Metals 119 (1986) 83-90
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/1/00/16/1001679.cif $ #-------------------------------------------------------------------...
1,001,680
5.57
null
5.57
null
22.00999
null
90
null
90
null
120
null
591.4
null
null
null
null
null
null
null
null
null
4
P 63/m m c
-P 6c 2c
194
Lanthanum nickel aluminium oxide (1/1/11/19)
- Al11 La Ni O19 -
- Al11.01 La Ni0.99 O19 -
- Al22.02 La2 Ni1.98 O38 -
2
0.083333
Laville, F; Perrin, M; Lejus, A M; Gasperin, M; Moncorge, R; Vivien, D
Synthesis, crystal growth, structural determination, and optical absorption spectroscopy of the magnetoplumbite type compound La Ni Al11 O19
Journal of Solid State Chemistry
1,986
65
301
308
10.1016/0022-4596(86)90102-7
null
0.053
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Laville, F; Perrin, M; Lejus, A M; Gasperin, M; Moncorge, R; Vivien, D Synthesis, crystal growth, structural determination, and optical absorption spectroscopy of the magnetoplumbite type compound La Ni Al11 O19 Journal of Solid State Chemistry 65 (1986) 301-308
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/1/00/16/1001680.cif $ #-------------------------------------------------------------------...
1,001,681
13.07
0.01
5.281
0.004
13.24
0.01
90
null
120.4
null
90
null
788.2
null
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
Tantalum phosphorus pentoxide - $-beta
- O5 P Ta -
- O5 P Ta -
- O40 P8 Ta8 -
8
2
Chahboun, H; Groult, D; Hervieu, M; Raveau, B
$-beta Nb P O5 and $-beta Ta P O5: Bronzoids, second members of the monophosphate tungsten bronze series (P O2)4 (W O3)2M
Journal of Solid State Chemistry
1,986
65
331
342
10.1016/0022-4596(86)90105-2
null
0.075
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chahboun, H; Groult, D; Hervieu, M; Raveau, B $-beta Nb P O5 and $-beta Ta P O5: Bronzoids, second members of the monophosphate tungsten bronze series (P O2)4 (W O3)2M Journal of Solid State Chemistry 65 (1986) 331-342
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$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/1/00/16/1001681.cif $ #-------------------------------------------------------------------...
1,001,682
12.169
0.003
3.005
0.001
9.414
0.002
90
null
125.06
0.02
90
null
281.8
null
null
null
null
null
null
null
null
null
3
C 1 2/m 1
-C 2y
12
Tetragallium germanate - $-alpha
- Ga4 Ge O8 -
- Ga4 Ge O8 -
- Ga8 Ge2 O16 -
2
0.25
Kahn, A; Agafonov, V; Michel, D; Perez Y Jorba, M
New gallium germanates with tunnel structures $-alpha Ga4 Ge O8 and Ga4 Ge3 O12
Journal of Solid State Chemistry
1,986
65
377
382
10.1016/0022-4596(86)90111-8
null
0.029
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kahn, A; Agafonov, V; Michel, D; Perez Y Jorba, M New gallium germanates with tunnel structures $-alpha Ga4 Ge O8 and Ga4 Ge3 O12 Journal of Solid State Chemistry 65 (1986) 377-382
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$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/1/00/16/1001682.cif $ #-------------------------------------------------------------------...
1,001,683
14.4671
0.0011
14.4671
0.0011
7.4605
0.0002
90
null
90
null
120
null
1,352.3
null
null
null
null
null
null
null
null
null
4
P 63
P 6c
173
Trivanadium(III) silicopentaphosphate
- O19 P5 Si V3 -
- O19 P5 Si V3 -
- O76 P20 Si4 V12 -
4
0.666667
Leclaire, A; Chahboun, H; Groult, D; Raveau, B
V3 P5 Si O19, a vanadosilicophospahte built up from V2 O9 octahedra clusters
Journal of Solid State Chemistry
1,986
65
168
177
10.1016/0022-4596(86)90051-4
null
0.047
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Chahboun, H; Groult, D; Raveau, B V3 P5 Si O19, a vanadosilicophospahte built up from V2 O9 octahedra clusters Journal of Solid State Chemistry 65 (1986) 168-177
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/1/00/16/1001683.cif $ #-------------------------------------------------------------------...
1,001,684
4.862
0.001
4.862
0.001
10.497
0.002
90
null
90
null
90
null
248.1
null
null
null
null
null
null
null
null
null
3
I 41/a :1
I 4bw -1bw
88
Hafnium germanate
- Ge Hf O4 -
- Ge Hf O4 -
- Ge4 Hf4 O16 -
4
0.25
Ennaciri, A; Kahn, A; Michel, D
Crystal structures of Hf Ge O4 and Th Ge O4 germanates
Journal of the Less-Common Metals
1,986
124
105
109
10.1016/0022-5088(86)90481-9
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ennaciri, A; Kahn, A; Michel, D Crystal structures of Hf Ge O4 and Th Ge O4 germanates Journal of the Less-Common Metals 124 (1986) 105-109
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/1/00/16/1001684.cif $ #-------------------------------------------------------------------...
1,001,685
5.145
0.001
5.145
0.001
10.531
0.002
90
null
90
null
90
null
278.8
null
null
null
null
null
null
null
null
null
3
I 41/a :1
I 4bw -1bw
88
Thorium germanate
- Ge O4 Th -
- Ge O4 Th -
- Ge4 O16 Th4 -
4
0.25
Ennaciri, A; Kahn, A; Michel, D
Crystal structures of Hf Ge O4 and Th Ge O4 germanates
Journal of the Less-Common Metals
1,986
124
105
109
10.1016/0022-5088(86)90481-9
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ennaciri, A; Kahn, A; Michel, D Crystal structures of Hf Ge O4 and Th Ge O4 germanates Journal of the Less-Common Metals 124 (1986) 105-109
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/1/00/16/1001685.cif $ #-------------------------------------------------------------------...
1,001,686
7.23
0.001
7.23
0.001
6.539
0.001
90
null
90
null
90
null
341.8
null
null
null
null
null
null
null
null
null
3
I 41/a m d :1
I 4bw 2bw -1bw
141
Thorium germanate
- Ge O4 Th -
- Ge O4 Th -
- Ge4 O16 Th4 -
4
0.125
Ennaciri, A; Kahn, A; Michel, D
Crystal structures of Hf Ge O4 and Th Ge O4 germanates
Journal of the Less-Common Metals
1,986
124
105
109
10.1016/0022-5088(86)90481-9
null
0.038
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ennaciri, A; Kahn, A; Michel, D Crystal structures of Hf Ge O4 and Th Ge O4 germanates Journal of the Less-Common Metals 124 (1986) 105-109
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/1/00/16/1001686.cif $ #-------------------------------------------------------------------...
7,151,741
7.9953
0.0017
12.083
0.003
13.275
0.003
65.855
0.003
88.718
0.004
84.251
0.004
1,164.1
0.5
296
2
296
2
null
null
null
null
5
P -1
-P 1
2
(5S,6S)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-(2-pyridyl)- 5,6-dihydrobenzo(d)furo(3,2-b)azepine-2,3-dicarboxylate
(5S,6S)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5- (2-pyridyl)-5,6-dihydrobenzo[d]furo[3,2-b]azepine-2,3-dicarboxylate
- C24 H23 Br N2 O6 -
- C24 H23 Br N2 O6 -
- C48 H46 Br2 N4 O12 -
2
1
Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying
The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.
Organic & biomolecular chemistry
2,011
9
7
2166
2174
10.1039/c0ob00746c
0.71073
MoKα
0.0504
0.0352
null
null
0.0788
0.085
null
null
null
null
null
1.018
null
null
has coordinates
Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines. Organic & biomolecular chemistry 9(7) (2011) 2166-2174
304,653
2026-02-27
7:43:21
#------------------------------------------------------------------------------ #$Date: 2026-02-27 09:43:20 +0200 (Fri, 27 Feb 2026) $ #$Revision: 304653 $ #$URL: file:///srv/svn/cod/cif/7/15/17/7151741.cif $ #------------------------------------------------------------------------------ # # This file is available in t...
1,001,687
5.699
0.001
5.699
0.001
13.07
0.01
90
null
90
null
120
null
367.6
null
null
null
null
null
null
null
null
null
3
P -6 2 c
P -6c -2c
190
Sodium vanadium oxide (1/6/11)
- Na O11 V6 -
- Na O11 V6 -
- Na2 O22 V12 -
2
0.166667
De Roy, M E; Besse, J P; Chevalier, R; Gasperin, M
Synthese et structure cristalline de Na V6 O11
Journal of Solid State Chemistry
1,987
67
185
189
10.1016/0022-4596(87)90353-7
null
0.036
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
De Roy, M E; Besse, J P; Chevalier, R; Gasperin, M Synthese et structure cristalline de Na V6 O11 Journal of Solid State Chemistry 67 (1987) 185-189
130,149
2020-10-21
18:00:00
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1,001,688
8.6475
0.0001
8.6475
0.0001
3.8594
0.0001
90
null
90
null
90
null
288.6
null
null
null
null
null
null
null
null
null
4
P 4/m
-P 4
83
Barium lanthanum copper oxide (1/4/5/13.16)
- Ba Cu5 La4 O13.16 -
- Ba Cu5 La4 O13.12 -
- Ba Cu5 La4 O13.12 -
1
0.125
Michel, C; Er Rakho, L; Hervieu, M; Pannetier, J; Raveau, B
Ba La4 Cu5 O13+d, an oxygen-deficient perovskite built pu from corner- sharing Cu O6 octahedra and Cu O5 pyramids
Journal of Solid State Chemistry
1,987
68
143
152
10.1016/0022-4596(87)90297-0
null
0.044
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Michel, C; Er Rakho, L; Hervieu, M; Pannetier, J; Raveau, B Ba La4 Cu5 O13+d, an oxygen-deficient perovskite built pu from corner- sharing Cu O6 octahedra and Cu O5 pyramids Journal of Solid State Chemistry 68 (1987) 143-152
130,149
2020-10-21
18:00:00
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1,001,689
9.5219
0.0003
9.5219
0.0003
9.5219
0.0003
90
null
90
null
90
null
863.3
null
null
null
null
null
null
null
null
null
5
I a -3
-I 2b 2c 3
206
Copper titanium iron(III) antimony oxide (3/0.96/0.98/1/9.12)
- Cu3 Fe0.98 O9.12 Sb Ti0.96 -
- Cu3 Fe0.98 O9.12 Sb Ti0.96 -
- Cu3 Fe0.98 O9.12 Sb Ti0.96 -
1
0.020833
Mouron, P; Choisnet, J
A new ordered solid solution with a bixbyite structure: The compounds Cu2+x Ti2-x Fe2-x Sbx O9 (0< x < 1.4)
Materials Research Bulletin
1,987
22
1355
1362
10.1016/0025-5408(87)90300-X
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mouron, P; Choisnet, J A new ordered solid solution with a bixbyite structure: The compounds Cu2+x Ti2-x Fe2-x Sbx O9 (0< x < 1.4) Materials Research Bulletin 22 (1987) 1355-1362
176,435
2020-10-21
18:00:00
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1,001,690
8.722
0.005
8.722
0.005
8.722
0.005
90
null
90
null
90
null
663.5
null
null
null
null
null
null
null
null
null
3
I m -3 m
-I 4 2 3
229
Potassium uranium oxide (9/6/22.5)
- K9 O22.5 U6 -
- K9 O22.5 U6 -
- K9 O22.5 U6 -
1
0.010417
Saine, M-C; Gasperin, M; Jove, J; Cousson, A
Relation entre la structure cristalline d'un uranate de potassium K9 U6 O22.5, et les spectres Moessbauer (Np237) des phases apparentees de neptunium
Journal of the Less-Common Metals
1,987
132
141
148
10.1016/0022-5088(87)90182-2
null
0.0916
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Saine, M-C; Gasperin, M; Jove, J; Cousson, A Relation entre la structure cristalline d'un uranate de potassium K9 U6 O22.5, et les spectres Moessbauer (Np237) des phases apparentees de neptunium Journal of the Less-Common Metals 132 (1987) 141-148
130,149
2020-10-21
18:00:00
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1,001,691
5.3791
0.0006
5.3811
0.0009
24.58899
0.003
90
null
89.93
0.01
90
null
711.7
null
null
null
null
null
null
null
null
null
4
A 1 2/a 1
-A 2ya
15
Bismuth strontium copper oxide (1.9/1.8/1/5.5)
- Bi1.916 Cu O5.482 Sr1.84 -
- Bi1.9158 Cu O5.482 Sr1.84 -
- Bi7.6632 Cu4 O21.928 Sr7.36 -
4
0.5
Leligny, H; Durcok, S; Labbe, P; Ledesert, M; Raveau, B
X-ray investigation of the incommensurate modulated structure of Bi2.08 Sr1.84 Cu O6-d
Acta Crystallographica B (39,1983-)
1,992
48
407
418
null
0.061
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leligny, H; Durcok, S; Labbe, P; Ledesert, M; Raveau, B X-ray investigation of the incommensurate modulated structure of Bi2.08 Sr1.84 Cu O6-d Acta Crystallographica B (39,1983-) 48 (1992) 407-418
130,149
2020-10-21
18:00:00
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1,001,692
3.8505
0.0001
3.8505
0.0001
16.23999
0.001
90
null
90
null
90
null
240.8
null
null
null
null
null
null
null
null
null
6
P 4/m m m
-P 4 2
123
Mercury vanadium strontium copper carbonate oxide (0.6/0.4/4/2/1/6.6)
- C Cu2 Hg0.57 O9.6 Sr4 V0.43 -
- C Cu2 Hg0.57 O9.6 Sr4 V0.43 -
- C Cu2 Hg0.57 O9.6 Sr4 V0.43 -
1
0.0625
Maignan, A; Pelloquin, D; Malo, S; Michel, C; Hervieu, M; Raveau, B
Stabilisation of three new oxycarbonates by V and Cr substitutions. The superconductors (Tl, M)1 Sr4 Cu2 (C O3) O7 (M= Cr, V) and (Hg, V)1 Sr4 Cu2 (C O3) O6+z
Physica C (Amsterdam) (152,1988-)
1,995
249
220
233
10.1016/0921-4534(95)00322-3
null
0.104
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maignan, A; Pelloquin, D; Malo, S; Michel, C; Hervieu, M; Raveau, B Stabilisation of three new oxycarbonates by V and Cr substitutions. The superconductors (Tl, M)1 Sr4 Cu2 (C O3) O7 (M= Cr, V) and (Hg, V)1 Sr4 Cu2 (C O3) O6+z Physica C (Amsterdam) (152,1988-) 249 (1995) 220-233
208,902
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $ #$Revision: 208902 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/16/1001692.cif $ #-------------------------------------------------------------------...
7,151,740
29.508
0.001
29.508
0.001
12.139
0.001
90
null
90
null
90
null
10,569.7
1
293
2
293
2
null
null
null
null
5
P -4
P -4
81
?(5S,6R)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-(2-pyridyl)- 5,6-dihydrobenzo[d]furo[3,2-b]azepine-2,3-dicarboxylate
- C24 H23 Br N2 O6 -
- C24 H23 Br N2 O6 -
- C384 H368 Br16 N32 O96 -
16
4
Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying
The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.
Organic & biomolecular chemistry
2,011
9
7
2166
2174
10.1039/c0ob00746c
0.71073
MoKα
0.0735
0.0446
null
null
0.0964
0.1038
null
null
null
null
null
0.971
null
null
has coordinates,has disorder
Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines. Organic & biomolecular chemistry 9(7) (2011) 2166-2174
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151740.cif $ #-------------------------------------------------------------------...
1,001,693
5.414
0.002
5.414
0.002
18.52399
0.001
90
null
90
null
90
null
543
null
null
null
null
null
null
null
null
null
5
C m 2 a
C -2a -2a
39
Bismuth strontium calcium iron oxide (1.8/3.8/0.2/2/10)
- Bi1.77 Ca0.2 Fe2 O10 Sr3.8 -
- Bi1.77 Ca0.2 Fe2 O10 Sr3.8 -
- Bi3.54 Ca0.4 Fe4 O20 Sr7.6 -
2
null
Hervieu, M; Pelloquin, D; Michel, C; Caldes, M T; Raveau, B
The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of intergrowths of the 2201 and 0201 structures
Journal of Solid State Chemistry
1,995
118
227
240
10.1006/jssc.1995.1338
null
0.096
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hervieu, M; Pelloquin, D; Michel, C; Caldes, M T; Raveau, B The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of intergrowths of the 2201 and 0201 structures Journal of Solid State Chemistry 118 (1995) 227-240
176,435
2020-10-21
18:00:00
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1,001,694
3.837
0.001
3.837
0.001
61.15999
0.01
90
null
90
null
90
null
900.4
null
null
null
null
null
null
null
null
null
5
I 4/m m m
-I 4 2
139
Bismuth barium strontium iron oxide (3/1/6/3/16)
- Ba Bi3 Fe3 O16 Sr6 -
- Ba Bi3 Fe3 O16 Sr6 -
- Ba2 Bi6 Fe6 O32 Sr12 -
2
0.0625
Hervieu, M; Pelloquin, D; Michel, C; Caldes, M T; Raveau, B
The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of intergrowths of the 2201 and 0201 structures
Journal of Solid State Chemistry
1,995
118
227
240
10.1006/jssc.1995.1338
null
0.111
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hervieu, M; Pelloquin, D; Michel, C; Caldes, M T; Raveau, B The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of intergrowths of the 2201 and 0201 structures Journal of Solid State Chemistry 118 (1995) 227-240
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/1/00/16/1001694.cif $ #-------------------------------------------------------------------...
1,001,695
21.381
0.001
21.381
0.001
21.381
0.001
90
null
90
null
90
null
9,774.3
null
null
null
null
null
null
null
null
null
6
F m -3 m
-F 4 2 3
225
Hexapotassium 40-oxotrimolybdononatungstophosphate 13-hydrate
- H26 K6 Mo3 O53 P W9 -
- H18.5415 K6 Mo3 O49.0834 P W9 -
- H148.332 K48 Mo24 O392.667 P8 W72 -
8
0.041667
Leclaire, A; Borel, M M; Chardon, J; Raveau, B
A mixed valent Keggin polyoxometallate involving molybdenum and tungsten
Materials Research Bulletin
1,995
30
9
1075
1080
10.1016/0025-5408(95)00103-4
null
0.03
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Borel, M M; Chardon, J; Raveau, B A mixed valent Keggin polyoxometallate involving molybdenum and tungsten Materials Research Bulletin 30(9) (1995) 1075-1080
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/1/00/16/1001695.cif $ #-------------------------------------------------------------------...
1,001,696
3.8728
0.0006
3.7242
0.0006
12.767
0.002
90
null
90
null
90
null
184.1
null
null
null
null
null
null
null
null
null
4
I m m m
-I 2 2
71
Lanthanum strontium nickel oxide (1.6/0.4/1/3.50)
- La1.6 Ni O3.5 Sr0.4 -
- La1.6 Ni O3.5 Sr0.4 -
- La3.2 Ni2 O7 Sr0.8 -
2
0.125
Crespin, M; Bassat, J M; Odier, P; Mouron, P; Choisnet, J
Synthesis and crystallographic characterization of the mixed-valence reduced nickelate La1.6 Sr0.4 (Ni(+I), Ni(+II)) O3.47
Journal of Solid State Chemistry
1,990
84
165
170
10.1016/0022-4596(90)90195-4
null
0.052
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Crespin, M; Bassat, J M; Odier, P; Mouron, P; Choisnet, J Synthesis and crystallographic characterization of the mixed-valence reduced nickelate La1.6 Sr0.4 (Ni(+I), Ni(+II)) O3.47 Journal of Solid State Chemistry 84 (1990) 165-170
176,435
2020-10-21
18:00:00
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7,151,739
8.558
0.0012
15.813
0.002
16.673
0.002
90
null
98.473
0.005
90
null
2,231.7
0.5
113
2
113
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C24 H23 Br N2 O6 -
- C24 H23 Br N2 O6 -
- C96 H92 Br4 N8 O24 -
4
1
Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying
The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.
Organic & biomolecular chemistry
2,011
9
7
2166
2174
10.1039/c0ob00746c
0.71073
MoKα
0.043
0.0317
null
null
0.0676
0.0707
null
null
null
null
null
0.978
null
null
has coordinates
Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines. Organic & biomolecular chemistry 9(7) (2011) 2166-2174
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151739.cif $ #-------------------------------------------------------------------...
1,001,697
3.7547
0.0001
11.4882
0.0004
20.0976
0.0007
90
null
90
null
90
null
866.9
null
null
null
null
null
null
null
null
null
4
I m m m
-I 2 2
71
Hexastrontium trineodymium pentacopper copper(III) oxide
- Cu6 Nd3 O17 Sr6 -
- Cu6 Nd3 O17 Sr6 -
- Cu12 Nd6 O34 Sr12 -
2
0.125
Caignaert, V; Retoux, R; Hervieu, M; Michel, C; Raveau, B
Sr6 Nd3 Cu6 O17: an intergrowth of the "123"-phase and rock salt-type structure
Journal of Solid State Chemistry
1,991
91
41
46
10.1016/0022-4596(91)90055-M
null
0.048
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Caignaert, V; Retoux, R; Hervieu, M; Michel, C; Raveau, B Sr6 Nd3 Cu6 O17: an intergrowth of the "123"-phase and rock salt-type structure Journal of Solid State Chemistry 91 (1991) 41-46
130,149
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/16/1001697.cif $ #-------------------------------------------------------------------...
1,001,698
19.80499
0.001
14.3859
0.0007
5.396
0.0004
90
null
90
null
90
null
1,537.4
null
null
null
null
null
null
null
null
null
4
P 21 21 2
P 2 2ab
18
Sodium niobium phosphorus oxide (2.7/6/4/26)
- Na2.667 Nb6 O26 P4 -
- Na2.66667 Nb6 O26 P4 -
- Na8 Nb18 O78 P12 -
3
0.75
Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
Na2+x Nb6 P4 O26 : a novel niobium phosphate bronze isotypic of the m=3 member of the MPTBp family
Journal of Solid State Chemistry
1,991
95
245
252
10.1016/0022-4596(91)90101-M
null
0.035
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B Na2+x Nb6 P4 O26 : a novel niobium phosphate bronze isotypic of the m=3 member of the MPTBp family Journal of Solid State Chemistry 95 (1991) 245-252
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/1/00/16/1001698.cif $ #-------------------------------------------------------------------...
1,001,699
6.635
0.001
5.352
0.001
17.967
0.005
90
null
90.33
null
90
null
638
null
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
Tetrasodium tectooctaniobotetraphosphate(V)
- Na4 Nb8 O32 P4 -
- Na4 Nb8 O32 P4 -
- Na4 Nb8 O32 P4 -
1
0.5
Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
Phosphate niobium bronzes and bronzoids with the MPTBP structure: Na4 Nb8 P4 O32 and Na4-x Ax Nb7 M P4 O32 fourth members of the series Ax (P O2)4 (Nb O3)2m
Materials Research Bulletin
1,991
26
1051
1057
10.1016/0025-5408(91)90088-4
null
0.06
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B Phosphate niobium bronzes and bronzoids with the MPTBP structure: Na4 Nb8 P4 O32 and Na4-x Ax Nb7 M P4 O32 fourth members of the series Ax (P O2)4 (Nb O3)2m Materials Research Bulletin 26 (1991) 1051-1057
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/1/00/16/1001699.cif $ #-------------------------------------------------------------------...
1,001,700
5.571
0.001
5.583
0.001
31.10399
0.004
90
null
90
null
90
null
967.4
null
null
null
null
null
null
null
null
null
5
F m m m
-F 2 2
69
Bismuth barium lanthanum copper oxide (2/2.3/0.7/2/8)
- Ba2.3 Bi2 Cu2 La0.7 O8 -
- Ba2.3 Bi2 Cu2 La0.7 O8 -
- Ba9.2 Bi8 Cu8 La2.8 O32 -
4
0.125
Pham, A Q; Hervieu, H; Michel, C; Raveau, B
A new member of the 2212-type family: the oxide Bi2 Ba2+x La1-x Cu2 O8+d
Physica C (Amsterdam) (152,1988-)
1,992
199
321
327
10.1016/0921-4534(92)90417-B
null
0.069
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pham, A Q; Hervieu, H; Michel, C; Raveau, B A new member of the 2212-type family: the oxide Bi2 Ba2+x La1-x Cu2 O8+d Physica C (Amsterdam) (152,1988-) 199 (1992) 321-327
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/1/00/17/1001700.cif $ #-------------------------------------------------------------------...
1,001,701
10.748
0.0003
10.748
0.0003
3.8976
0.0002
90
null
90
null
90
null
450.2
null
null
null
null
null
null
null
null
null
5
P 4/m b m
-P 4 2ab
127
Lanthanum strontium copper iron oxide (4.4/3.6/6/2/20)
- Cu6 Fe2 La4.4 O20 Sr3.6 -
- Cu6 Fe2 La4.4 O20 Sr3.6 -
- Cu6 Fe2 La4.4 O20 Sr3.6 -
1
0.0625
Genouel, R; Michel, C; Raveau, B
Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20
Chemistry of Materials (1,1989-
1,995
7
2181
2184
10.1021/cm00059a028
null
0.028
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Genouel, R; Michel, C; Raveau, B Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20 Chemistry of Materials (1,1989- 7 (1995) 2181-2184
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/1/00/17/1001701.cif $ #-------------------------------------------------------------------...
7,151,738
6.6845
0.0009
7.9964
0.001
26.937
0.003
90
null
94.935
0.008
90
null
1,434.5
0.3
293
2
293
2
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
- C17 H14 O6 -
- C17 H14 O6 -
- C68 H56 O24 -
4
1
Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne
Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.
Organic & biomolecular chemistry
2,011
9
7
2286
2293
10.1039/c0ob00735h
0.71073
MoKα
0.135
0.0793
null
0.1847
0.1549
0.1847
null
null
1.185
null
null
1.185
null
null
has coordinates
Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds. Organic & biomolecular chemistry 9(7) (2011) 2286-2293
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151738.cif $ #-------------------------------------------------------------------...
1,001,702
10.787
0.0003
10.787
0.0003
3.8915
0.0001
90
null
90
null
90
null
452.8
null
null
null
null
null
null
null
null
null
5
P 4/m b m
-P 4 2ab
127
Lanthanum strontium copper iron oxide (5.2/2.8/6.8/1.2/20)
- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -
- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -
- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -
1
0.0625
Genouel, R; Michel, C; Raveau, B
Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20
Chemistry of Materials (1,1989-
1,995
7
2181
2184
10.1021/cm00059a028
null
0.035
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Genouel, R; Michel, C; Raveau, B Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20 Chemistry of Materials (1,1989- 7 (1995) 2181-2184
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/1/00/17/1001702.cif $ #-------------------------------------------------------------------...
1,001,703
10.8088
0.0005
10.8088
0.0005
3.8992
0.0002
90
null
90
null
90
null
455.5
null
null
null
null
null
null
null
null
null
5
P 4/m b m
-P 4 2ab
127
Lanthanum strontium copper iron oxide (6.4/1.6/6.8/1.2/20)
- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -
- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -
- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -
1
0.0625
Genouel, R; Michel, C; Raveau, B
Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20
Chemistry of Materials (1,1989-
1,995
7
2181
2184
10.1021/cm00059a028
null
0.066
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Genouel, R; Michel, C; Raveau, B Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20 Chemistry of Materials (1,1989- 7 (1995) 2181-2184
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/1/00/17/1001703.cif $ #-------------------------------------------------------------------...
1,001,704
5.4364
0.0003
5.4462
0.0003
7.6755
0.0004
90
null
90
null
90
null
227.3
null
null
null
null
null
null
null
null
null
5
P b n m
-P 2c 2ab
62
Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)
- Ca0.2 Mn O3 Pr0.7 Sr0.1 -
- Ca0.2 Mn O3 Pr0.7 Sr0.1 -
- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -
4
0.5
Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B
Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)
1,995
321
515
520
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-) 321 (1995) 515-520
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/1/00/17/1001704.cif $ #-------------------------------------------------------------------...
1,001,705
5.4363
0.0003
5.4462
0.0003
7.6768
0.0004
90
null
90
null
90
null
227.3
null
null
null
null
null
null
null
null
null
5
P b n m
-P 2c 2ab
62
Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)
- Ca0.2 Mn O3 Pr0.7 Sr0.1 -
- Ca0.2 Mn O3 Pr0.7 Sr0.1 -
- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -
4
0.5
Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B
Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)
1,995
321
515
520
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-) 321 (1995) 515-520
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/1/00/17/1001705.cif $ #-------------------------------------------------------------------...
7,151,737
8.1223
0.0003
7.04
0.0005
13.0388
0.0003
90
null
107.502
0.004
90
null
711.06
0.06
293
2
293
2
null
null
null
null
3
P 1 c 1
P -2yc
7
- C17 H14 O6 -
- C17 H14 O6 -
- C34 H28 O12 -
2
1
Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne
Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.
Organic & biomolecular chemistry
2,011
9
7
2286
2293
10.1039/c0ob00735h
0.71073
MoKα
0.0397
0.0341
null
0.0797
0.077
0.0797
null
null
1.083
null
null
1.083
null
null
has coordinates
Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds. Organic & biomolecular chemistry 9(7) (2011) 2286-2293
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151737.cif $ #-------------------------------------------------------------------...
1,001,706
5.4369
0.0003
5.4467
0.0003
7.6799
0.0004
90
null
90
null
90
null
227.4
null
null
null
null
null
null
null
null
null
5
P b n m
-P 2c 2ab
62
Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)
- Ca0.2 Mn O3 Pr0.7 Sr0.1 -
- Ca0.2 Mn O3 Pr0.7 Sr0.1 -
- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -
4
0.5
Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B
Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)
1,995
321
515
520
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-) 321 (1995) 515-520
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/1/00/17/1001706.cif $ #-------------------------------------------------------------------...
1,001,707
5.439
0.0004
5.4521
0.0004
7.6839
0.0005
90
null
90
null
90
null
227.9
null
null
null
null
null
null
null
null
null
5
P b n m
-P 2c 2ab
62
Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)
- Ca0.2 Mn O3 Pr0.7 Sr0.1 -
- Ca0.2 Mn O3 Pr0.7 Sr0.1 -
- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -
4
0.5
Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B
Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)
1,995
321
515
520
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-) 321 (1995) 515-520
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/1/00/17/1001707.cif $ #-------------------------------------------------------------------...
7,151,736
6.8264
0.0003
8.0831
0.0003
12.8838
0.0011
91.219
0.004
96.917
0.006
94.85
0.004
702.85
0.07
293
2
293
2
null
null
null
null
3
P -1
-P 1
2
- C17 H14 O6 -
- C17 H14 O6 -
- C34 H28 O12 -
2
1
Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne
Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.
Organic & biomolecular chemistry
2,011
9
7
2286
2293
10.1039/c0ob00735h
0.71073
MoKα
0.1218
0.1001
null
0.3089
0.2932
0.3089
null
null
1.076
null
null
1.076
null
null
has coordinates
Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds. Organic & biomolecular chemistry 9(7) (2011) 2286-2293
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151736.cif $ #-------------------------------------------------------------------...
1,001,708
5.4356
0.0003
5.4549
0.0003
7.6936
0.0005
90
null
90
null
90
null
228.1
null
null
null
null
null
null
null
null
null
5
P b n m
-P 2c 2ab
62
Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)
- Ca0.2 Mn O3 Pr0.7 Sr0.1 -
- Ca0.2 Mn O3 Pr0.7 Sr0.1 -
- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -
4
0.5
Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B
Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)
1,995
321
515
520
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-) 321 (1995) 515-520
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/1/00/17/1001708.cif $ #-------------------------------------------------------------------...
1,001,709
5.488
0.001
5.475
0.001
31.50899
0.005
90
null
90
null
90
null
946.7
null
null
null
null
null
null
null
null
null
4
F m m m
-F 2 2
69
Bismuth strontium iron oxide (2/2.6/2/11)
- Bi2 Fe2 O11 Sr2.591 -
- Bi2 Fe2 O11 Sr2.591 -
- Bi8 Fe8 O44 Sr10.364 -
4
0.125
Perez, O; Leligny, H; Grebille, D; Labbe, Ph; Groult, D; Raveau, B
X-ray investigation of the incommensurate modulated structure of Bi2+x Sr3-x Fe2 O9+d
Journal of Physics: Condensed Matter
1,995
7
10003
10014
10.1088/0953-8984/7/50/030
null
0.064
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Perez, O; Leligny, H; Grebille, D; Labbe, Ph; Groult, D; Raveau, B X-ray investigation of the incommensurate modulated structure of Bi2+x Sr3-x Fe2 O9+d Journal of Physics: Condensed Matter 7 (1995) 10003-10014
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/1/00/17/1001709.cif $ #-------------------------------------------------------------------...
1,001,710
5.4604
0.0003
5.5227
0.0003
12.2112
0.0006
90
null
90
null
90
null
368.2
null
null
null
null
null
null
null
null
null
5
C m m m
-C 2 2
65
Dilead distrontium copper(I) iron(III) oxide
- Cu Fe O6 Pb2 Sr2 -
- Cu Fe O6 Pb2 Sr2 -
- Cu2 Fe2 O12 Pb4 Sr4 -
2
0.125
Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B
An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6
Journal of Materials Chemistry
1,995
5
8
1163
1170
10.1039/jm9950501163
null
0.06
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 Journal of Materials Chemistry 5(8) (1995) 1163-1170
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/1/00/17/1001710.cif $ #-------------------------------------------------------------------...
1,001,711
5.4606
0.0003
5.5228
0.0003
12.2112
0.0006
90
null
90
null
90
null
368.3
null
null
null
null
null
null
null
null
null
5
P 2 a n
P -2ab 2
30
Dilead distrontium copper(I) iron(III) oxide
- Cu Fe O6 Pb2 Sr2 -
- Cu Fe O6 Pb2 Sr2 -
- Cu2 Fe2 O12 Pb4 Sr4 -
2
0.5
Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B
An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6
Journal of Materials Chemistry
1,995
5
8
1163
1170
10.1039/jm9950501163
null
0.06
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 Journal of Materials Chemistry 5(8) (1995) 1163-1170
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/1/00/17/1001711.cif $ #-------------------------------------------------------------------...
7,151,735
8.3372
0.0004
10.931
0.0007
9.7141
0.0003
90
null
94.165
0.003
90
null
882.95
0.08
208
2
208
2
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
- C11 H10 O3 -
- C11 H10 O3 -
- C44 H40 O12 -
4
1
Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne
Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.
Organic & biomolecular chemistry
2,011
9
7
2286
2293
10.1039/c0ob00735h
0.71073
MoKα
0.0537
0.0429
null
0.1012
0.0959
0.1012
null
null
1.098
null
null
1.098
null
null
has coordinates
Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds. Organic & biomolecular chemistry 9(7) (2011) 2286-2293
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151735.cif $ #-------------------------------------------------------------------...
1,001,712
5.4604
0.0003
5.5227
0.0003
12.211
0.0006
90
null
90
null
90
null
368.2
null
null
null
null
null
null
null
null
null
5
P 21 a m
P -2 2a
26
Dilead distrontium copper(I) iron(III) oxide
- Cu Fe O6 Pb2 Sr2 -
- Cu Fe O6 Pb2 Sr2 -
- Cu2 Fe2 O12 Pb4 Sr4 -
2
0.5
Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B
An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6
Journal of Materials Chemistry
1,995
5
8
1163
1170
10.1039/jm9950501163
null
0.061
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 Journal of Materials Chemistry 5(8) (1995) 1163-1170
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/1/00/17/1001712.cif $ #-------------------------------------------------------------------...
1,001,713
16.04599
0.004
11.951
0.002
9.937
0.002
90
null
104.62
0.02
90
null
1,843.9
null
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
Lithium tecto-molybdo(V)diphosphate(V)
- Li Mo O8 P2 -
- Li Mo O8 P2 -
- Li12 Mo12 O96 P24 -
12
3
Ledain, S; Borel, M M; Leclaire, A; Provost, J; Raveau, B
A molybdenum V diphosphate involving Li O4 tetrahedra: Li Mo O P2 O7
Journal of Solid State Chemistry
1,995
120
260
267
10.1006/jssc.1995.1407
null
0.034
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ledain, S; Borel, M M; Leclaire, A; Provost, J; Raveau, B A molybdenum V diphosphate involving Li O4 tetrahedra: Li Mo O P2 O7 Journal of Solid State Chemistry 120 (1995) 260-267
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/1/00/17/1001713.cif $ #-------------------------------------------------------------------...
1,001,714
8.7949
0.0002
8.7949
0.0002
3.7848
0.0001
90
null
90
null
90
null
292.8
null
null
null
null
null
null
null
null
null
4
P 4/m
-P 4
83
Pentastrontium tetramanganese(III) carbonate decaoxide
- C Mn4 O13 Sr5 -
- C Mn4 O13 Sr5 -
- C Mn4 O13 Sr5 -
1
0.125
Caignaert, V; Domenges, B; Raveau, B
Synthesis and structure of a new oxycarbonate, Sr5 Mn4 C O3 O10, closely related to the perovskite structure
Journal of Solid State Chemistry
1,995
120
279
289
10.1006/jssc.1995.1410
null
0.061
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Caignaert, V; Domenges, B; Raveau, B Synthesis and structure of a new oxycarbonate, Sr5 Mn4 C O3 O10, closely related to the perovskite structure Journal of Solid State Chemistry 120 (1995) 279-289
208,902
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $ #$Revision: 208902 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001714.cif $ #-------------------------------------------------------------------...
1,001,715
7.2
0.001
6.369
0.001
9.123
0.001
90
null
106.29
0.01
90
null
401.6
null
null
null
null
null
null
null
null
null
5
P 1 21/m 1
-P 2yb
11
Sodium molybdenum tungsten oxide phosphate (0.75/1.17/0.83/3/2)
- Mo1.17 Na0.75 O11 P2 W0.83 -
- Mo1.17 Na0.75 O11 P2 W0.83 -
- Mo2.34 Na1.5 O22 P4 W1.66 -
2
0.5
Leclaire, A; Borel, M M; Chardon, J; Raveau, B
A mixed-valent molybdenotungsten monophosphate with a tunnel structure : Nax (Mo, W)2 O3 (P O4)2
Journal of Solid State Chemistry
1,995
120
353
357
10.1006/jssc.1995.1419
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leclaire, A; Borel, M M; Chardon, J; Raveau, B A mixed-valent molybdenotungsten monophosphate with a tunnel structure : Nax (Mo, W)2 O3 (P O4)2 Journal of Solid State Chemistry 120 (1995) 353-357
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/1/00/17/1001715.cif $ #-------------------------------------------------------------------...
1,001,716
3.7511
0.0001
3.7511
0.0001
8.939
0.001
90
null
90
null
90
null
125.8
null
null
null
null
null
null
null
null
null
5
P 4/m m m
-P 4 2
123
Thallium molybdenum strontium copper oxide (0.8/0.2/2/1/5)
- Cu Mo0.2 O5 Sr2 Tl0.8 -
- Cu Mo0.2 O5 Sr2 Tl0.8 -
- Cu Mo0.2 O5 Sr2 Tl0.8 -
1
0.0625
Letouze, F; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B
Stabilization of new superconducting thallium cuprates and oxycarbonates by molybdenum
Physica C (Amsterdam) (152,1988-)
1,995
254
33
43
10.1016/0921-4534(95)00561-7
null
0.057
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Letouze, F; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B Stabilization of new superconducting thallium cuprates and oxycarbonates by molybdenum Physica C (Amsterdam) (152,1988-) 254 (1995) 33-43
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/1/00/17/1001716.cif $ #-------------------------------------------------------------------...
7,151,734
16.9209
0.0013
10.9678
0.0009
19.3539
0.0015
90
null
114.309
0.001
90
null
3,273.3
0.4
100
2
100
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
Compound-72
- C30 H35 Cl2 N7 O5 S2 -
- C30 H35 Cl2 N7 O5 S2 -
- C120 H140 Cl8 N28 O20 S8 -
4
1
He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.
Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.
Organic & biomolecular chemistry
2,011
9
8
2685
2701
10.1039/c0ob00657b
0.71073
MoKα
0.056
0.0445
null
null
0.1164
0.1247
null
null
null
null
null
1.027
null
null
has coordinates
He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J. Intramolecular Diels-Alder chemistry of 4-vinylimidazoles. Organic & biomolecular chemistry 9(8) (2011) 2685-2701
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151734.cif $ #-------------------------------------------------------------------...
1,001,717
3.8251
0.0002
3.8251
0.0002
16.42899
0.001
90
null
90
null
90
null
240.4
null
null
null
null
null
null
null
null
null
6
P 4/m m m
-P 4 2
123
Thallium molybdenum strontium copper carbonate oxide (0.8/0.2/4/2/1/7)
- C Cu2 Mo0.2 O10 Sr4 Tl0.8 -
- C Cu2 Mo0.2 O10 Sr4 Tl0.8 -
- C Cu2 Mo0.2 O10 Sr4 Tl0.8 -
1
0.0625
Letouze, F; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B
Stabilization of new superconducting thallium cuprates and oxycarbonates by molybdenum
Physica C (Amsterdam) (152,1988-)
1,995
254
33
43
10.1016/0921-4534(95)00561-7
null
0.079
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Letouze, F; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B Stabilization of new superconducting thallium cuprates and oxycarbonates by molybdenum Physica C (Amsterdam) (152,1988-) 254 (1995) 33-43
208,902
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $ #$Revision: 208902 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001717.cif $ #-------------------------------------------------------------------...
1,001,718
5.663
0.001
5.663
0.001
20.95499
0.003
90
null
90
null
120
null
582
null
null
null
null
null
null
null
null
null
3
R -3 m :H
-R 3 2"
166
Barium manganate(IV)
- Ba Mn O3 -
- Ba Mn O3 -
- Ba9 Mn9 O27 -
9
0.25
Boullay, P; Hervieu, M; Labbe, P; Raveau, B
Single crystal and HREM study of the "Bi-Sr" stabilized Ba Mn O3 9R polytype
Materials Research Bulletin
1,997
32
35
42
10.1016/S0025-5408(96)00169-9
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boullay, P; Hervieu, M; Labbe, P; Raveau, B Single crystal and HREM study of the "Bi-Sr" stabilized Ba Mn O3 9R polytype Materials Research Bulletin 32 (1997) 35-42
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/1/00/17/1001718.cif $ #-------------------------------------------------------------------...
1,001,719
4.95
null
25.18999
null
11.66
null
90
null
97.76
null
90
null
1,440.6
null
null
null
null
null
null
null
null
null
4
C 1 m 1
C -2y
8
Thallium strontium cobalt oxide (0.41/1/1/3.11)
- Co O3.111 Sr0.9999 Tl0.41 -
- Co O3.11111 Sr Tl0.41 -
- Co18 O56 Sr18 Tl7.38 -
18
4.5
Boullay, P; Domenges, B; Hervieu, M; Groult, D; Raveau, B
Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2
Chemistry of Materials (1,1989-
1,996
8
1482
1489
10.1021/cm9601446
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Boullay, P; Domenges, B; Hervieu, M; Groult, D; Raveau, B Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2 Chemistry of Materials (1,1989- 8 (1996) 1482-1489
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/1/00/17/1001719.cif $ #-------------------------------------------------------------------...
1,001,720
8.981
null
8.981
null
7.84
null
90
null
90
null
120
null
547.6
null
null
null
null
null
null
null
null
null
4
P -6 2 m
P -6 -2
189
Barium niobate silicate *
Belkovite
- Ba3 Nb6 O26 Si4 -
- Ba3 Nb6 O26 Si4 -
- Ba3 Nb6 O26 Si4 -
1
0.083333
Choisnet, J.; Nguyen, N.; Groult, D.; Raveau, B.
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) Locality: synthetic
Materials Research Bulletin
1,976
11
887
894
10.1016/0025-5408(76)90160-4
null
0.046
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Choisnet, J.; Nguyen, N.; Groult, D.; Raveau, B. De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) Locality: synthetic Materials Research Bulletin 11 (1976) 887-894
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/1/00/17/1001720.cif $ #-------------------------------------------------------------------...
1,001,721
10.22
null
10.22
null
14.176
null
90
null
90
null
120
null
1,282.3
null
null
null
null
null
null
null
null
null
synthetic
5
P 6/m c c
-P 6 2c
192
Dipotassium trimagnesium diiron closo-30-oxododecasilicate
Chayesite
- Fe2 K2 Mg3 O30 Si12 -
- Fe1.9999 K2 Mg3.0001 O30 Si12 -
- Fe3.9998 K4 Mg6.0002 O60 Si24 -
2
0.083333
Nguyen, N; Choisnet, J; Raveau, B
Silicates synthetiques a structure milarite
Journal of Solid State Chemistry
1,980
34
1
9
10.1016/0022-4596(80)90395-3
null
0.076
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nguyen, N; Choisnet, J; Raveau, B Silicates synthetiques a structure milarite Journal of Solid State Chemistry 34 (1980) 1-9
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/1/00/17/1001721.cif $ #-------------------------------------------------------------------...
7,151,733
10.5806
0.0005
10.1271
0.0005
40.3707
0.0018
90
null
90
null
90
null
4,325.8
0.4
100
2
100
2
null
null
null
null
5
P c a 21
P 2c -2ac
29
Compound-66
- C24 H26 N4 O3 S -
- C24 H26 N4 O3 S -
- C192 H208 N32 O24 S8 -
8
2
He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.
Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.
Organic & biomolecular chemistry
2,011
9
8
2685
2701
10.1039/c0ob00657b
0.71073
MoKα
0.05
0.0425
null
null
0.0916
0.095
null
null
null
null
null
1.085
null
null
has coordinates
He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J. Intramolecular Diels-Alder chemistry of 4-vinylimidazoles. Organic & biomolecular chemistry 9(8) (2011) 2685-2701
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151733.cif $ #-------------------------------------------------------------------...
1,001,722
10.934
null
7.572
null
5.446
null
90
null
90
null
90
null
450.9
null
null
null
null
null
null
null
null
null
synthetic
4
P n m a
-P 2ac 2n
62
Lanthanum niobium titanium oxide
Aeschynite (La)
- La Nb O6 Ti -
- La Nb O6 Ti -
- La4 Nb4 O24 Ti4 -
4
0.5
Fauquier, D; Gasperin, M
Synthese de monocristaux et etude structurale de La Nb Ti O6
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)
1,970
93
258
259
null
0.11
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fauquier, D; Gasperin, M Synthese de monocristaux et etude structurale de La Nb Ti O6 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 93 (1970) 258-259
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/1/00/17/1001722.cif $ #-------------------------------------------------------------------...
1,001,723
10.589
0.005
10.589
0.005
10.589
0.005
90
null
90
null
90
null
1,187.3
null
null
null
null
null
null
null
null
null
synthetic
4
F d -3 m :2
-F 4vw 2vw 3
227
Barium hydrogen tantalum oxide hydrate (0.4/1.2/2/6/1)
Bariomicrolite
- Ba0.4 H3.2 O7 Ta2 -
- Ba0.4 H9.4 O7 Ta2 -
- Ba3.2 H75.2 O56 Ta16 -
8
0.041667
Groult, D; Michel, C; Raveau, B
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions
Journal of Inorganic and Nuclear Chemistry
1,975
37
2203
2205
10.1016/0022-1902(75)80857-8
null
0.059
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Groult, D; Michel, C; Raveau, B Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001723.cif $ #-------------------------------------------------------------------...
1,001,724
17.90999
0.002
7.48
0.002
17.06059
0.0009
90
null
114.739
0.006
90
null
2,075.8
null
null
null
null
null
null
null
null
null
4
A 1 2/m 1
-A 2y
12
Barium diphosphate 32-tungstate
- Ba2 O112 P8 W32 -
- Ba2 O112 P8 W32 -
- Ba2 O112 P8 W32 -
1
0.125
Lamire, M; Labbe, P; Goreaud, M; Raveau, B
Ba2 P8 W32 O112: Structural study in comparison with the K and Rb diphosphate tungsten bronzes with hexagonal tunnels
Journal of Solid State Chemistry
1,987
71
342
348
10.1016/0022-4596(87)90241-6
null
0.038
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lamire, M; Labbe, P; Goreaud, M; Raveau, B Ba2 P8 W32 O112: Structural study in comparison with the K and Rb diphosphate tungsten bronzes with hexagonal tunnels Journal of Solid State Chemistry 71 (1987) 342-348
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/1/00/17/1001724.cif $ #-------------------------------------------------------------------...
1,001,725
3.778
0.001
15.244
0.001
17.67699
0.001
90
null
90
null
90
null
1,018.1
null
null
null
null
null
null
null
null
null
5
A m m 2
A 2 -2
38
Thallium chromate strontium coppper oxide (3/1/8/4/16)
- Cr Cu4 O20 Sr8 Tl3 -
- Cr Cu4 O20 Sr8 Tl3 -
- Cr2 Cu8 O40 Sr16 Tl6 -
2
0.25
Martin, C; Letouze, F; Maignan, A; Seshadri, R; Michel, C; Hervieu, M; Raveau, B
The superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16 : long- range ordering between thallium and chromium
Chemistry of Materials (1,1989-
1,996
8
865
873
10.1021/cm950473i
null
0.08
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Martin, C; Letouze, F; Maignan, A; Seshadri, R; Michel, C; Hervieu, M; Raveau, B The superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16 : long- range ordering between thallium and chromium Chemistry of Materials (1,1989- 8 (1996) 865-873
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/1/00/17/1001725.cif $ #-------------------------------------------------------------------...
1,001,726
10.159
0.005
10.103
0.003
10.003
0.002
90
null
99.48
0.03
90
null
1,012.7
null
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Potassium caesium molybdenum oxide phosphate (0.4/1.5/2/3/2)
- Cs1.5 K0.425 Mo2 O11 P2 -
- Cs1.5 K0.425 Mo2 O11 P2 -
- Cs6 K1.7 Mo8 O44 P8 -
4
1
Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B.
Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure
European Journal of Solid State and Inorganic Chemistry
1,996
33
385
396
null
0.055
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B. Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure European Journal of Solid State and Inorganic Chemistry 33 (1996) 385-396
200,144
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-03 22:29:29 +0300 (Sun, 03 Sep 2017) $ #$Revision: 200144 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001726.cif $ #-------------------------------------------------------------------...
7,151,732
9.4283
0.0016
10.252
0.002
14.872
0.004
77.695
0.017
79.25
0.017
71.711
0.014
1,322.4
0.5
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
Compound-24A
- C34 H30 N2 O -
- C34 H30 N2 O -
- C68 H60 N4 O2 -
2
1
He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.
Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.
Organic & biomolecular chemistry
2,011
9
8
2685
2701
10.1039/c0ob00657b
0.71073
MoKα
0.0826
0.0517
null
null
0.1156
0.1313
null
null
null
null
null
1.01
null
null
has coordinates,has disorder
He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J. Intramolecular Diels-Alder chemistry of 4-vinylimidazoles. Organic & biomolecular chemistry 9(8) (2011) 2685-2701
301,861
2025-08-22
11:11:50
#------------------------------------------------------------------------------ #$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301861 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/15/17/7151732.cif $ #-------------------------------------------------------------------...
1,001,727
10.121
0.001
10.154
0.002
9.82
0.001
90
null
100.59
0.01
90
null
992
null
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Potassium caesium dimolybdenum trioxide bis(phosphate(V))
- Cs K Mo2 O11 P2 -
- Cs K Mo2 O11 P2 -
- Cs4 K4 Mo8 O44 P8 -
4
1
Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B.
Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure
European Journal of Solid State and Inorganic Chemistry
1,996
33
385
396
null
0.033
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B. Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure European Journal of Solid State and Inorganic Chemistry 33 (1996) 385-396
200,144
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-03 22:29:29 +0300 (Sun, 03 Sep 2017) $ #$Revision: 200144 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001727.cif $ #-------------------------------------------------------------------...
1,001,728
10.08
0.001
10.146
0.001
9.83
0.001
90
null
100.25
0.01
90
null
989.3
null
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Potassium caesium molybdenum oxide phosphate (1.3/0.7/2/3/2)
- Cs0.74 K1.26 Mo2 O11 P2 -
- Cs0.74 K1.26 Mo2 O11 P2 -
- Cs2.96 K5.04 Mo8 O44 P8 -
4
1
Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B.
Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure
European Journal of Solid State and Inorganic Chemistry
1,996
33
385
396
null
0.041
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B. Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure European Journal of Solid State and Inorganic Chemistry 33 (1996) 385-396
200,144
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-03 22:29:29 +0300 (Sun, 03 Sep 2017) $ #$Revision: 200144 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001728.cif $ #-------------------------------------------------------------------...
1,001,729
9.961
0.001
10.134
0.001
9.884
0.001
90
null
99.16
0.01
90
null
985
null
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Potassium rubidium molybdenum oxide phosphate (0.9/1.1/2/3/2)
- K0.88 Mo2 O11 P2 Rb1.12 -
- K0.88 Mo2 O11 P2 Rb1.12 -
- K3.52 Mo8 O44 P8 Rb4.48 -
4
1
Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B.
Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure
European Journal of Solid State and Inorganic Chemistry
1,996
33
385
396
null
0.037
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Guesdon, A.; Leclaire, A.; Borel, M. M.; Raveau, B. Highly ordered distribution of the interpolated univalent cations in monophosphates with the α-K~2~Mo~2~O~3~(PO~4~)~2~ structure European Journal of Solid State and Inorganic Chemistry 33 (1996) 385-396
200,144
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-09-03 22:29:29 +0300 (Sun, 03 Sep 2017) $ #$Revision: 200144 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/00/17/1001729.cif $ #-------------------------------------------------------------------...