American Mineralogist Crystal Structure Database

37 matching records for this search.

Cs2NaAl3F12
 
Courbion G, Jacoboni C, de Pape R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=32&spage=3190
Acta Crystallographica B32 (1976) 3190-3193
Structure cristalline de Cs2NaAl3F12
_cod_database_code 1000492
_database_code_amcsd 0009579
7.310 7.310 7.310 57.45 57.45 57.45 R-3m
atom      x      y      z
Cs1  .37877 .37877 .37877
Na1       0      0      0
Al1      .5      0      0
F1    .2968  .2968 -.0768
F2   -.0847 -.0847  .3828
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RbAlF4
 
Fourquet J, Plet F, de Pape R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=36&spage=1997
Acta Crystallographica B36 (1980) 1997-2000
RbAlF4: Structure of Its beta Metastable Form and Description of
the Mechanism of Its Irreversible and Topotactic Phase Transition
beta to alpha
_cod_database_code 1000175
_database_code_amcsd 0009714
11.666 11.666 12.551 90 90 90 I-4c2
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Rb1       0      0    .25  .0158  .0158  .0241  .0061      0      0
Rb2   .3415  .8404  .6881  .0320  .0174  .0226 -.0059  .0104  .0027
Al1      .5      0      0  .0063  .0063  .0106 -.0013      0      0
Al2   .7926  .0763  .0007  .0059  .0061  .0116  .0004  .0045  .0059
F1    .3445  .0011  .0015  .0082  .0119  .0285 -.0022  .0083  .0110
F2    .1419  .0667  .0012  .0108  .0075  .0398  .0025 -.0066  .0062
F3    .0777  .2061  .1385  .0351  .0181  .0233 -.0019  .0010 -.0062
F4   -.0801 -.2111 -.1400  .0198  .0178  .0024 -.0041 -.0014  .0048
F5    .2184 -.2816     .5  .0099  .0099  .0281  .0006  .0019 -.0019
F6        0     .5  .1379  .0081  .0401  .0096 -.0103      0      0
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TlV3O8
 
Benchrifa R, Leblanc M, De Pape R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=177
Acta Crystallographica C46 (1990) 177-179
Structure of the trivanadate TlV3O8
_database_code_amcsd 0010092
7.780 8.423 4.993 90 96.48 90 P2_1/m
atom      x     y      z Biso
Tl1  .05573 .2500 .94825 2.32
V1    .5755 .2500  .9174  .65
V2    .6870 .0540  .4375  .68
O1    .4305 .2500  .1207  1.3
O2    .7598 .2500  .5915  .77
O3    .5056 .0863  .6874  .85
O4    .1664 .0664  .4340 1.43
O5    .7377 .0996  .1146  .84
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Na3Li3Ti2F12
 
de Pape R, Portier J, Gauthier G, Hagenmuller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 265 (1967) 1244-1246
Les grenats fluores des elements de transition Na3Li3M2F12
Note: garnet structure
_cod_database_code 1000209
_database_code_amcsd 0012265
12.498 12.498 12.498 90 90 90 Ia3d
atom     x    y   z
Ti1      0    0   0
Na1    .25 .125   0
Li1    .25 .375   0
F1   -.035 .050 .14
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F12 Li3 Na3 V2
 
de Pape R, Portier J, Gauthier G, Hagenmuller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 265 (1967) 1244-1246
Les grenats fluores des elements de transition Na3 Li3 M2 F12
Note: garnet structure
_cod_database_code 1008312
_database_code_amcsd 0016227
12.409 12.409 12.409 90 90 90 Ia3d
atom     x    y   z
V1       0    0   0
Na1    .25 .125   0
Li1    .25 .375   0
F1   -.035 .050 .14
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Cr2 F12 Li3 Na3
 
de Pape R, Portier J, Gauthier G, Hagenmuller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 265 (1967) 1244-1246
Les grenats fluores des elements de transition Na3 Li3 M2 F12
Note: garnet structure
_cod_database_code 1008313
_database_code_amcsd 0016228
12.328 12.328 12.328 90 90 90 Ia3d
atom     x    y   z
Cr1      0    0   0
Na1    .25 .125   0
Li1    .25 .375   0
F1   -.035 .050 .14
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F12 Fe2 Li3 Na3
 
de Pape R, Portier J, Gauthier G, Hagenmuller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 265 (1967) 1244-1246
Les grenats fluores des elements de transition Na3 Li3 M2 F12
Note: garnet structure
_cod_database_code 1008314
_database_code_amcsd 0016229
12.393 12.393 12.393 90 90 90 Ia3d
atom     x    y   z
Fe1      0    0   0
Na1    .25 .125   0
Li1    .25 .375   0
F1   -.035 .050 .14
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Co2 F12 Li3 Na3
 
de Pape R, Portier J, Gauthier G, Hagenmuller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 265 (1967) 1244-1246
Les grenats fluores des elements de transition Na3 Li3 M2 F12
Note: garnet structure
_cod_database_code 1008315
_database_code_amcsd 0016230
12.326 12.326 12.326 90 90 90 Ia3d
atom     x    y   z
Co1      0    0   0
Na1    .25 .125   0
Li1    .25 .375   0
F1   -.035 .050 .14
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F6 Fe2 Li
 
Portier J, Tressaud A, de Pape R, Hagenmueller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 267 (1968) 1711-1713
Etude cristallographique et magnetique d'un fluorure inedit de type trirutile
_cod_database_code 1000178
_database_code_amcsd 0012276
4.673 4.673 9.29 90 90 90 P4_2/mnm
atom    x    y     z occ
Li1     0    0     0
Fe1     0    0 .3333  .5
Fe2     0    0 .3333  .5
F1   .305 .305     0
F2   .305 .305  .333
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Li3Na3Sc2F12
 
de Pape R, Portier J, Grannec J, Gauthier G, Hagenmueller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 269 (1969) 1120-1121
Sur quelques nouveaux grenats fluores
Note: garnet structure
_cod_database_code 1000176
_database_code_amcsd 0012280
12.607 12.607 12.607 90 90 90 Ia3d
atom      x     y     z
Sc1       0     0     0
Na1     .25  .125     0
Li1     .25  .375     0
F1   -.0343 .0499 .1407
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Li3Na3In2F12
 
de Pape R, Portier J, Grannec J, Gauthier G, Hagenmueller P
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 269 (1969) 1120-1121
Sur quelques nouveaux grenats fluores
Note: garnet structure
_cod_database_code 1000177
_database_code_amcsd 0012281
12.693 12.693 12.693 90 90 90 Ia3d
atom      x     y     z
In1       0     0     0
Na1     .25  .125     0
Li1     .25  .375     0
F1   -.0349 .0507 .1422
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TlNb2O5F
 
Ory G, Fourquet J, Jacoboni C, Miranday J, de Pape R
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747-750
Localisation des cations monovalents dans les pyrochlores A B2 X6
(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
cristallohraphique dans le cas du thallium
_cod_database_code 1000169
_database_code_amcsd 0012287
10.506 10.506 10.506 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Tl1  .413 .413 .413   .25
Nb1     0    0    0
O1   .322 .125 .125 .8333
F1   .322 .125 .125 .1667
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F2 Nb O4 Ti Tl
 
Ory G, Fourquet J, Jacoboni C, Miranday J, de Pape R
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747-750
Localisation des cations monovalents dans les pyrochlores A B2 X6
(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
cristallographiques dans le cas du thallium
_cod_database_code 1000170
_database_code_amcsd 0012288
10.365 10.365 10.365 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Tl1  .410 .410 .410   .25
Ti1     0    0    0    .5
Nb1     0    0    0    .5
O1   .315 .125 .125 .6667
F1   .315 .125 .125 .3333
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F O5 Ti Tl W
 
Ory G, Fourquet J, Jacoboni C, Miranday J, de Pape R
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747-750
Localisation des cations monovalents dans les pyrochlores A B2 X6
(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
cristallographiques dans le cas du thallium
_cod_database_code 1000171
_database_code_amcsd 0012289
10.241 10.241 10.241 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Tl1  .405 .405 .405   .25
Ti1     0    0    0    .5
W1      0    0    0    .5
O1   .320 .125 .125 .8333
F1   .320 .125 .125 .1667
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F Nb2 O5 Rb
 
Ory G, Fourquet J, Jacoboni C, Miranday J, de Pape R
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747-750
Localisation des cations monovalents dans les pyrochlores A B2 X6
(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
cristallographiques dans le cas du thallium
_cod_database_code 1000172
_database_code_amcsd 0012290
10.492 10.492 10.492 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Rb1  .352 .352 .352   .25
Nb1     0    0    0
O1   .326 .125 .125 .8333
F1   .326 .125 .125 .1667
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Cs F Nb2 O5
 
Ory G, Fourquet J, Jacoboni C, Miranday J, de Pape R
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747-750
Localisation des cations monovalents dans les pyrochlores A B2 X6
(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
cristallographiques dans le cas du thallium
_cod_database_code 1000173
_database_code_amcsd 0012291
10.525 10.525 10.525 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Cs1  .385 .385 .385   .25
Nb1     0    0    0
O1   .318 .125 .125 .8333
F1   .318 .125 .125 .1667
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F6 Fe2 H4 N
 
Ferey G, le Blanc M, de Pape R
 
Journal of Solid State Chemistry 40 (1981) 1-7
Crystal Structure of the Ordered Pyrochlore N H4 Fe(II) Fe(III) F6
Structural Correlations with Fe2 F5 (H2 O)2 and Its Dehydration
Product Fe2 F5 H2 O
_cod_database_code 1000174
_database_code_amcsd 0013420
7.045 7.454 10.116 90 90 90 Pnma
atom      x     y     z
N1    .0028   .25 .6208
Fe1       0     0     0
Fe2   .2043   .25 .2681
F1   -.0627   .25 .3398
F2    .0633   .25 .9671
F3    .1267 .4901 .1668
F4    .7655 .4368 .0825
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LiMnFeF6
 
Courbion G, Jacoboni C, de Pape R
 
Journal of Solid State Chemistry 45 (1982) 127-134
The Dimorphism of LiMnFeF6: A New Kind of Cationic Order in the
Structural Type Na2SiF6
_cod_database_code 1000184
_database_code_amcsd 0013495
8.684 8.684 4.657 90 90 120 P321
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Li1      0     0     0
Li2    1/3   2/3 .5055
Mn1  .3545     0     0  .0074  .0083  .0068  .0041  .0002  .0004
Fe1  .6875     0    .5  .0061  .0056  .0067  .0028  .0001  .0002
F1   .5311 .4235 .2709  .0093  .0115  .0110  .0050  .0035  .0041
F2   .2214 .4374 .2769  .0115  .0098  .0112  .0060 -.0039 -.0005
F3   .2215 .1130 .2435  .0111  .0100  .0106  .0055 -.0013 -.0041
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LiMnFeF6
 
Courbion G, Jacoboni C, de Pape R
 
Journal of Solid State Chemistry 45 (1982) 127-134
The Dimorphism of LiMnFeF6: A New Kind of Cationic Order in the
Structural Type Na2SiF6
_cod_database_code 1000185
_database_code_amcsd 0013496
8.723 8.723 4.745 90 90 120 P321
atom    x    y    z
Fe1     0    0    0
Fe2   1/3  2/3 .493
Mn1  .360    0    0
Li1   .69    0   .5
F1   .537 .418 .273
F2   .223 .458 .280
F3   .227 .099 .238
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LiMnFeF6
 
Courbion G, Jacoboni C, de Pape R
 
Journal of Solid State Chemistry 45 (1982) 127-134
The Dimorphism of LiMnFeF6: A New Kind of Cationic Order in the
Structural Type Na2SiF6
_cod_database_code 1000186
_database_code_amcsd 0013497
8.723 8.723 4.745 90 90 120 P321
atom    x    y    z
Fe1     0    0    0
Fe2   1/3  2/3 .506
Mn1  .352    0    0
Li1  .714    0   .5
F1   .541 .420 .268
F2   .226 .462 .270
F3   .221 .098 .226
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F3 Fe H0.66 O0.33
 
Leblanc M, Ferey G, Chevalier P, Calage Y, de Pape R
 
Journal of Solid State Chemistry 47 (1983) 53-58
Hexagonal Tungsten Bronze-Type Fe(III) Fluoride: (H2O)0.33FeF3;
Crystal Structure, Magnetic Properties, Dehydration to a New Form of
Iron Trifluoride
_cod_database_code 1000187
_database_code_amcsd 0013503
7.423 12.730 7.526 90 90 90 Cmcm
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1      0     .5     0  .0084  .0065  .0066      0      0 -.0001
Fe2    .25    .25     0  .0061  .0088  .0073  .0010  .0002 -.0001
F1       0  .2156 .5511  .0072  .0244  .0176      0      0  .0017
F2   .1876  .3962 .0434  .0193  .0124  .0199  .0062 -.0025 -.0009
F3       0  .5286   .25   .023  .0133  .0066      0      0      0
F4   .2101  .2176   .25  .0179  .0201  .0078 -.0002      0      0
O1       0 -.0006   .25  .0519  .0410  .0721      0      0      0
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Cr5 Cs4 F18.24
 
Courbion G, de Pape R, Knoke G, Babel D
 
Journal of Solid State Chemistry 49 (1983) 353-361
Structures of cesium containing fluorides, VI:The pyrochlore-related
layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x
_cod_database_code 1000461
_database_code_amcsd 0013511
7.2 7.2 10.679 90 90 120 P-3m1
atom      x       y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs1       0       0 .22765      .0328  .0328  .0574  .0164      0      0
Cs2     1/3     2/3 .37306      .0578  .0578  .0212  .0289      0      0
Cr1     1/3     2/3 .71642      .0170  .0170  .0118  .0085      0      0
Cr2      .5       0      0      .0162  .0100  .0164  .0050 -.0005 -.0009
F1   .20391 -.20391 .03982      .0302  .0302  .0442  .0047  .0074 -.0074
F2   .54121 -.54121 .17326      .0445  .0445  .0214  .0359 -.0008  .0008
F3   .79060 -.79060 .37818      .0568  .0568  .0268  .0457 -.0029  .0029
F4        0       0     .5 .24
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Co Cr4 Cs4 F18.24
 
Courbion G, de Pape R, Knoke G, Babel D
 
Journal of Solid State Chemistry 49 (1983) 353-361
Structures of cesium containing fluorides, VI:The pyrochlore-related
layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x
_cod_database_code 1000462
_database_code_amcsd 0013512
7.203 7.203 10.761 90 90 120 P-3m1
atom      x       y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs1       0       0 .22510       .0415  .0415  .0741  .0208      0      0
Cs2     1/3     2/3 .37383       .0690  .0690  .0256  .0345      0      0
Cr1     1/3     2/3 .71764       .0157  .0157  .0114  .0078      0      0
Cr2      .5       0      0 .667  .0104  .0075  .0167  .0037 -.0021 -.0010
Co1      .5       0      0 .333  .0104  .0075  .0167  .0037 -.0021 -.0010
F1   .20494 -.20494 .03863       .0185  .0185  .0332  .0048  .0043 -.0043
F2   .54091 -.54091 .17336       .0337  .0337  .0221  .0272 -.0009  .0009
F3   .79331 -.79331 .37813       .0466  .0466  .0303  .0329  .0005 -.0005
F4        0       0     .5  .24
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F8 Fe3 H4 O2
 
Leblanc M, Ferey G, Calage Y, De Pape R
 
Journal of Solid State Chemistry 53 (1984) 360-368
Idle spin behavior of the shifted hexagonal tungsten bronze type
compounds Fe Fe2 F8 (H2O)2 and Mn Fe2 F8 (H2O)2
_cod_database_code 1000193
_database_code_amcsd 0013528
7.609 7.514 7.453 90 118.21 90 C2/m
atom     x     y     z
Fe1      0    .5     0
Fe2    .25   .25    .5
Wat  .2423     0 .0435
F1       0 .2925    .5
F2   .1845     0 .4411
F3   .1277 .2952 .2138
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AlF3
 
LeBail A, Jacoboni C, LeBlanc M, de Pape R, Duroy H, Fourquet J
 
Journal of Solid State Chemistry 77 (1988) 96-101
Crystal structure of the metastable form of aluminium trifluoride
beta-AlF3 and the gallium and indium homologs
_cod_database_code 1000238
_database_code_amcsd 0013625
6.931 12.002 7.134 90 90 90 Cmcm
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1      0    .5     0  .0055  .0042  .0043      0      0 -.0002
Al2    .25   .25     0  .0040  .0057   .004  .0008 -.0005 -.0003
F1       0 .2125 .5257  .0040  .0107  .0112      0      0  .0010
F2   .3161 .1054 .9800  .0083  .0061  .0141  .0023 -.0012 -.0004
F3       0 .5177   .25  .0155  .0128  .0049      0      0      0
F4   .2297 .2352   .25  .0133  .0141  .0040 -.0002      0      0
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F3 Ga H0.07 O0.07
 
LeBail A, Jacoboni C, LeBlanc M, de Pape R, Duroy H, Fourquet J
 
Journal of Solid State Chemistry 77 (1988) 96-101
Crystal structure of the metastable form of aluminium trifluoride
beta-Al F3 and the gallium and indium homologs
_cod_database_code 1000475
_database_code_amcsd 0013626
7.210 12.398 7.333 90 90 90 Cmcm
atom    x     y    z occ
Ga1     0    .5    0
Ga2   .25   .25    0
F1      0  .210 .539
F2   .320 .1067 .961
F3      0  .533  .25
F4   .216  .222  .25
O1      0   .06  .25 .22
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Na0.11FeF3
 
de Pape R, Tressaud A, Portier J
 
Materials Research Bulletin 3 (1968) 753-758
Sur de nouvelles series de bronzes fluores de composition MxFeF3 (M=Na,Rb,Tl)
_cod_database_code 1000179
_database_code_amcsd 0014216
5.372 5.372 5.372 58.85 58.85 58.85 R-3c
atom     x    y   z occ
Na1    .25  .25 .25 .11
Fe1      0    0   0
F1   -.175 .675 .25
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F Nb2 O5 Rb
 
Fourquet J, Jacoboni C, de Pape R
 
Materials Research Bulletin 8 (1973) 393-404
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
A de nouvelles positions cristallographiques dans le groupe d'espace Fd3m
_cod_database_code 1000493
_database_code_amcsd 0014229
10.492 10.492 10.492 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Rb1  .352 .352 .352  .125
Rb2  .398 .398 .398  .125
Nb1     0    0    0
O1   .326 .125 .125 .8333
F1   .326 .125 .125 .1667
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F Nb2 O5 Tl
 
Fourquet J, Jacoboni C, de Pape R
 
Materials Research Bulletin 8 (1973) 393-404
Les Pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
A de nouvelles positions cristallographiques dans les groupe d'espace Fd3m
_cod_database_code 1000494
_database_code_amcsd 0014230
10.506 10.506 10.506 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Tl1  .413 .413 .413   .25
Nb1     0    0    0
O1   .322 .125 .125 .8333
F1   .322 .125 .125 .1667
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Cs F Nb2 O5
 
Fourquet J, Jacoboni C, de Pape R
 
Materials Research Bulletin 8 (1973) 393-404
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
A de nouvelles positions cristallographiques dans les groupe d'espace Fd3m
_cod_database_code 1000495
_database_code_amcsd 0014231
10.525 10.525 10.525 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
Cs1  .365 .365 .365  .125
Cs2  .385 .385 .385  .125
Nb1     0    0    0
O1   .318 .125 .125 .8333
F1   .318 .125 .125 .1667
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Co Cr F6 Rb
 
Fourquet J, Jacoboni C, de Pape R
 
Materials Research Bulletin 8 (1973) 393-404
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
A de nouvelles positions cristallographiques dans le groupe d'espace Fd3m
_cod_database_code 1000499
_database_code_amcsd 0014232
10.277 10.277 10.277 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z  occ
Rb1  .352 .352 .352 .125
Rb2  .398 .398 .398 .125
Co1     0    0    0   .5
Cr1     0    0    0   .5
F1   .312 .125 .125
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FeF3
 
De Pape R, Ferey G
 
Materials Research Bulletin 21 (1986) 971-978
A new form of FeF3 with the pyrochlore structure: Soft chemistry,
crystal structure, thermal transitions and structural correlations with
the other forms of FeF3
_cod_database_code 1000228
_database_code_amcsd 0014319
10.325 10.325 10.325 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z
Fe1      0    0    0
F1   .3104 .125 .125
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Al F4 H4 N
 
Fourquet J, Plet F, Courbion G, Bulou A, de Pape R
 
Revue de Chimie Minerale 16 (1979) 490-500
Etude de la filiation structurale des phases M(I)AlF4
(M(I) = K, Rb, Tl, N H4, Cs)
_cod_database_code 1000199
_database_code_amcsd 0015388
5.078 5.078 12.715 90 90 90 I-4c2
atom     x     y     z
N1       0    .5   .25
Al1      0     0     0
F1       0     0 .1386
F2   .2097 .7097     0
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RbAlF4
 
Fourquet J, Plet F, Courbion G, Bulou A, de Pape R
 
Revue de Chimie Minerale 16 (1979) 490-500
Etude de la filiation structurale des phases M(I)AlF4 (M(I) = K,Rb,Tl,NH4,Cs)
_cod_database_code 1000496
_database_code_amcsd 0015389
5.125 5.125 6.283 90 90 90 P4/mbm
atom    x    y    z
Rb1     0   .5   .5
Al1     0    0    0
F1   .237 .737    0
F2      0    0 .273
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Al F5 H2 O Rb2
 
Fourquet J, Plet F, de Pape R
 
Revue de Chimie Minerale 18 (1981) 19-26
La structure cristalline de Rb2 Al F5, H2 O. Retour critique sur
le type structural Tl2 Al F5
_cod_database_code 1000200
_database_code_amcsd 0015391
9.604 8.379 7.542 90 90 90 Cmcm
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Rb1  .2835 .2195   .25  .0247  .0194  .0157 -.0067      0      0
Al1      0     0     0  .0126  .0095  .0061      0      0 -.0009
F1   .1846     0     0  .0142  .0242  .0166      0      0 -.0034
F2       0 .2138 .0090  .0308  .0113  .0172      0      0  .0024
F3       0 .9906   .25  .0292  .0218  .0066      0      0      0
O1       0 .4567   .25  .0337  .0237  .0368      0      0      0
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H Nb O3
 
Fourquet J, Renou M, De Pape R
 
Revue de Chimie Minerale 21 (1984) 383-390
La reaction d'echange topotactique Li Nb O3 -> H Nb O3 en milieu acide
_cod_database_code 1000401
_database_code_amcsd 0015397
7.645 7.645 7.645 90 90 90 Im3
atom   x    y    z occ
Nb1  .25  .25  .25
O1     0 .189 .289
H1     0 .060 .304 .17
H2     0 .196  .44 .17
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F3 Fe
 
Leblanc M, Pannetier J, Ferey G, de Pape R
 
Revue de Chimie Minerale 22 (1985) 107-114
Single crystal refinement of the structure of rhombohedral Fe F3
_cod_database_code 1000476
_database_code_amcsd 0015398
5.362 5.362 5.362 57.94 57.94 57.94 R-3c
atom      x     y   z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1       0     0   0  .0056  .0056  .0056 -.0020  -.002  -.002
F1   -.1607 .6607 .25  .0112  .0112  .0112 -.0079 -.0029 -.0029
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