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Cs2NaAl3F12 |
| |
Courbion G, Jacoboni C, de Pape R |
 |
Acta Crystallographica B32 (1976) 3190-3193 |
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Structure cristalline de Cs2NaAl3F12 |
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_cod_database_code 1000492 |
|
_database_code_amcsd 0009579 |
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7.310 7.310 7.310 57.45 57.45 57.45 R-3m |
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atom x y z |
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Cs1 .37877 .37877 .37877 |
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Na1 0 0 0 |
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Al1 .5 0 0 |
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F1 .2968 .2968 -.0768 |
|
F2 -.0847 -.0847 .3828 |
|
|
| Download AMC data (View Text File)
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|
| |
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RbAlF4 |
| |
Fourquet J, Plet F, de Pape R |
|
Acta Crystallographica B36 (1980) 1997-2000 |
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RbAlF4: Structure of Its beta Metastable Form and Description of |
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the Mechanism of Its Irreversible and Topotactic Phase Transition |
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beta to alpha |
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_cod_database_code 1000175 |
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_database_code_amcsd 0009714 |
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11.666 11.666 12.551 90 90 90 I-4c2 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Rb1 0 0 .25 .0158 .0158 .0241 .0061 0 0 |
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Rb2 .3415 .8404 .6881 .0320 .0174 .0226 -.0059 .0104 .0027 |
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Al1 .5 0 0 .0063 .0063 .0106 -.0013 0 0 |
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Al2 .7926 .0763 .0007 .0059 .0061 .0116 .0004 .0045 .0059 |
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F1 .3445 .0011 .0015 .0082 .0119 .0285 -.0022 .0083 .0110 |
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F2 .1419 .0667 .0012 .0108 .0075 .0398 .0025 -.0066 .0062 |
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F3 .0777 .2061 .1385 .0351 .0181 .0233 -.0019 .0010 -.0062 |
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F4 -.0801 -.2111 -.1400 .0198 .0178 .0024 -.0041 -.0014 .0048 |
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F5 .2184 -.2816 .5 .0099 .0099 .0281 .0006 .0019 -.0019 |
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F6 0 .5 .1379 .0081 .0401 .0096 -.0103 0 0 |
|
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| Download AMC data (View Text File)
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|
| |
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TlV3O8 |
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Benchrifa R, Leblanc M, De Pape R |
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Acta Crystallographica C46 (1990) 177-179 |
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Structure of the trivanadate TlV3O8 |
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_database_code_amcsd 0010092 |
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7.780 8.423 4.993 90 96.48 90 P2_1/m |
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atom x y z Biso |
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Tl1 .05573 .2500 .94825 2.32 |
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V1 .5755 .2500 .9174 .65 |
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V2 .6870 .0540 .4375 .68 |
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O1 .4305 .2500 .1207 1.3 |
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O2 .7598 .2500 .5915 .77 |
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O3 .5056 .0863 .6874 .85 |
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O4 .1664 .0664 .4340 1.43 |
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O5 .7377 .0996 .1146 .84 |
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| Download AMC data (View Text File)
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|
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Na3Li3Ti2F12 |
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de Pape R, Portier J, Gauthier G, Hagenmuller P |
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Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 265 (1967) 1244-1246 |
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Les grenats fluores des elements de transition Na3Li3M2F12 |
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Note: garnet structure |
|
_cod_database_code 1000209 |
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_database_code_amcsd 0012265 |
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12.498 12.498 12.498 90 90 90 Ia3d |
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atom x y z |
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Ti1 0 0 0 |
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Na1 .25 .125 0 |
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Li1 .25 .375 0 |
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F1 -.035 .050 .14 |
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| Download AMC data (View Text File)
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|
| |
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F12 Li3 Na3 V2 |
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de Pape R, Portier J, Gauthier G, Hagenmuller P |
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Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 265 (1967) 1244-1246 |
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Les grenats fluores des elements de transition Na3 Li3 M2 F12 |
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Note: garnet structure |
|
_cod_database_code 1008312 |
|
_database_code_amcsd 0016227 |
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12.409 12.409 12.409 90 90 90 Ia3d |
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atom x y z |
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V1 0 0 0 |
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Na1 .25 .125 0 |
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Li1 .25 .375 0 |
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F1 -.035 .050 .14 |
|
|
| Download AMC data (View Text File)
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| |
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Cr2 F12 Li3 Na3 |
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de Pape R, Portier J, Gauthier G, Hagenmuller P |
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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 |
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Note: garnet structure |
|
_cod_database_code 1008313 |
|
_database_code_amcsd 0016228 |
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12.328 12.328 12.328 90 90 90 Ia3d |
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atom x y z |
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Cr1 0 0 0 |
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Na1 .25 .125 0 |
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Li1 .25 .375 0 |
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F1 -.035 .050 .14 |
|
|
| Download AMC data (View Text File)
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|
| |
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F12 Fe2 Li3 Na3 |
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de Pape R, Portier J, Gauthier G, Hagenmuller P |
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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 |
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12.393 12.393 12.393 90 90 90 Ia3d |
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atom x y z |
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Fe1 0 0 0 |
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Na1 .25 .125 0 |
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Li1 .25 .375 0 |
|
F1 -.035 .050 .14 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Co2 F12 Li3 Na3 |
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de Pape R, Portier J, Gauthier G, Hagenmuller P |
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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 |
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Note: garnet structure |
|
_cod_database_code 1008315 |
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_database_code_amcsd 0016230 |
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12.326 12.326 12.326 90 90 90 Ia3d |
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atom x y z |
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Co1 0 0 0 |
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Na1 .25 .125 0 |
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Li1 .25 .375 0 |
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F1 -.035 .050 .14 |
|
|
| Download AMC data (View Text File)
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|
| |
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F6 Fe2 Li |
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Portier J, Tressaud A, de Pape R, Hagenmueller P |
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Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 267 (1968) 1711-1713 |
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Etude cristallographique et magnetique d'un fluorure inedit de type trirutile |
|
_cod_database_code 1000178 |
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_database_code_amcsd 0012276 |
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4.673 4.673 9.29 90 90 90 P4_2/mnm |
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atom x y z occ |
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Li1 0 0 0 |
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Fe1 0 0 .3333 .5 |
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Fe2 0 0 .3333 .5 |
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F1 .305 .305 0 |
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F2 .305 .305 .333 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Li3Na3Sc2F12 |
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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 |
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Sur quelques nouveaux grenats fluores |
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Note: garnet structure |
|
_cod_database_code 1000176 |
|
_database_code_amcsd 0012280 |
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12.607 12.607 12.607 90 90 90 Ia3d |
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atom x y z |
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Sc1 0 0 0 |
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Na1 .25 .125 0 |
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Li1 .25 .375 0 |
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F1 -.0343 .0499 .1407 |
|
|
| Download AMC data (View Text File)
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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 |
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Note: garnet structure |
|
_cod_database_code 1000177 |
|
_database_code_amcsd 0012281 |
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12.693 12.693 12.693 90 90 90 Ia3d |
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atom x y z |
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In1 0 0 0 |
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Na1 .25 .125 0 |
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Li1 .25 .375 0 |
|
F1 -.0349 .0507 .1422 |
|
|
| Download AMC data (View Text File)
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|
| |
|
TlNb2O5F |
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Ory G, Fourquet J, Jacoboni C, Miranday J, de Pape R |
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Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747-750 |
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Localisation des cations monovalents dans les pyrochlores A B2 X6 |
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(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions |
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cristallohraphique dans le cas du thallium |
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_cod_database_code 1000169 |
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_database_code_amcsd 0012287 |
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10.506 10.506 10.506 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Tl1 .413 .413 .413 .25 |
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Nb1 0 0 0 |
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O1 .322 .125 .125 .8333 |
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F1 .322 .125 .125 .1667 |
|
|
| Download AMC data (View Text File)
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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 |
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(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions |
|
cristallographiques dans le cas du thallium |
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_cod_database_code 1000170 |
|
_database_code_amcsd 0012288 |
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10.365 10.365 10.365 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Tl1 .410 .410 .410 .25 |
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Ti1 0 0 0 .5 |
|
Nb1 0 0 0 .5 |
|
O1 .315 .125 .125 .6667 |
|
F1 .315 .125 .125 .3333 |
|
|
| Download AMC data (View Text File)
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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 |
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_database_code_amcsd 0012289 |
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10.241 10.241 10.241 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Tl1 .405 .405 .405 .25 |
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Ti1 0 0 0 .5 |
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W1 0 0 0 .5 |
|
O1 .320 .125 .125 .8333 |
|
F1 .320 .125 .125 .1667 |
|
|
| Download AMC data (View Text File)
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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 |
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_database_code_amcsd 0012290 |
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10.492 10.492 10.492 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Rb1 .352 .352 .352 .25 |
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Nb1 0 0 0 |
|
O1 .326 .125 .125 .8333 |
|
F1 .326 .125 .125 .1667 |
|
|
| Download AMC data (View Text File)
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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 |
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.125 .125 .125 |
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atom x y z occ |
|
Cs1 .385 .385 .385 .25 |
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Nb1 0 0 0 |
|
O1 .318 .125 .125 .8333 |
|
F1 .318 .125 .125 .1667 |
|
|
| Download AMC data (View Text File)
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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 |
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Crystal Structure of the Ordered Pyrochlore N H4 Fe(II) Fe(III) F6 |
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Structural Correlations with Fe2 F5 (H2 O)2 and Its Dehydration |
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Product Fe2 F5 H2 O |
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_cod_database_code 1000174 |
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_database_code_amcsd 0013420 |
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7.045 7.454 10.116 90 90 90 Pnma |
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atom x y z |
|
N1 .0028 .25 .6208 |
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Fe1 0 0 0 |
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Fe2 .2043 .25 .2681 |
|
F1 -.0627 .25 .3398 |
|
F2 .0633 .25 .9671 |
|
F3 .1267 .4901 .1668 |
|
F4 .7655 .4368 .0825 |
|
|
| Download AMC data (View Text File)
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|
| |
|
LiMnFeF6 |
| |
Courbion G, Jacoboni C, de Pape R |
| |
Journal of Solid State Chemistry 45 (1982) 127-134 |
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The Dimorphism of LiMnFeF6: A New Kind of Cationic Order in the |
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Structural Type Na2SiF6 |
|
_cod_database_code 1000184 |
|
_database_code_amcsd 0013495 |
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8.684 8.684 4.657 90 90 120 P321 |
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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 |
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Mn1 .3545 0 0 .0074 .0083 .0068 .0041 .0002 .0004 |
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Fe1 .6875 0 .5 .0061 .0056 .0067 .0028 .0001 .0002 |
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F1 .5311 .4235 .2709 .0093 .0115 .0110 .0050 .0035 .0041 |
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F2 .2214 .4374 .2769 .0115 .0098 .0112 .0060 -.0039 -.0005 |
|
F3 .2215 .1130 .2435 .0111 .0100 .0106 .0055 -.0013 -.0041 |
|
|
| Download AMC data (View Text File)
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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 |
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 |
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_database_code_amcsd 0013528 |
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7.609 7.514 7.453 90 118.21 90 C2/m |
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atom x y z |
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Fe1 0 .5 0 |
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Fe2 .25 .25 .5 |
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Wat .2423 0 .0435 |
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F1 0 .2925 .5 |
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F2 .1845 0 .4411 |
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F3 .1277 .2952 .2138 |
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AlF3 |
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LeBail A, Jacoboni C, LeBlanc M, de Pape R, Duroy H, Fourquet J |
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Journal of Solid State Chemistry 77 (1988) 96-101 |
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Crystal structure of the metastable form of aluminium trifluoride |
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beta-AlF3 and the gallium and indium homologs |
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_cod_database_code 1000238 |
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_database_code_amcsd 0013625 |
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6.931 12.002 7.134 90 90 90 Cmcm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 0 .5 0 .0055 .0042 .0043 0 0 -.0002 |
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Al2 .25 .25 0 .0040 .0057 .004 .0008 -.0005 -.0003 |
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F1 0 .2125 .5257 .0040 .0107 .0112 0 0 .0010 |
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F2 .3161 .1054 .9800 .0083 .0061 .0141 .0023 -.0012 -.0004 |
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F3 0 .5177 .25 .0155 .0128 .0049 0 0 0 |
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F4 .2297 .2352 .25 .0133 .0141 .0040 -.0002 0 0 |
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F3 Ga H0.07 O0.07 |
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LeBail A, Jacoboni C, LeBlanc M, de Pape R, Duroy H, Fourquet J |
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Journal of Solid State Chemistry 77 (1988) 96-101 |
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Crystal structure of the metastable form of aluminium trifluoride |
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beta-Al F3 and the gallium and indium homologs |
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_cod_database_code 1000475 |
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_database_code_amcsd 0013626 |
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7.210 12.398 7.333 90 90 90 Cmcm |
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atom x y z occ |
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Ga1 0 .5 0 |
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Ga2 .25 .25 0 |
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F1 0 .210 .539 |
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F2 .320 .1067 .961 |
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F3 0 .533 .25 |
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F4 .216 .222 .25 |
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O1 0 .06 .25 .22 |
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Na0.11FeF3 |
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de Pape R, Tressaud A, Portier J |
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Materials Research Bulletin 3 (1968) 753-758 |
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Sur de nouvelles series de bronzes fluores de composition MxFeF3 (M=Na,Rb,Tl) |
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_cod_database_code 1000179 |
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_database_code_amcsd 0014216 |
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5.372 5.372 5.372 58.85 58.85 58.85 R-3c |
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atom x y z occ |
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Na1 .25 .25 .25 .11 |
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Fe1 0 0 0 |
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F1 -.175 .675 .25 |
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F Nb2 O5 Rb |
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Fourquet J, Jacoboni C, de Pape R |
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Materials Research Bulletin 8 (1973) 393-404 |
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Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation |
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A de nouvelles positions cristallographiques dans le groupe d'espace Fd3m |
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_cod_database_code 1000493 |
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_database_code_amcsd 0014229 |
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10.492 10.492 10.492 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Rb1 .352 .352 .352 .125 |
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Rb2 .398 .398 .398 .125 |
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Nb1 0 0 0 |
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O1 .326 .125 .125 .8333 |
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F1 .326 .125 .125 .1667 |
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F Nb2 O5 Tl |
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Fourquet J, Jacoboni C, de Pape R |
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Materials Research Bulletin 8 (1973) 393-404 |
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Les Pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation |
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A de nouvelles positions cristallographiques dans les groupe d'espace Fd3m |
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_cod_database_code 1000494 |
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_database_code_amcsd 0014230 |
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10.506 10.506 10.506 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Tl1 .413 .413 .413 .25 |
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Nb1 0 0 0 |
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O1 .322 .125 .125 .8333 |
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F1 .322 .125 .125 .1667 |
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Cs F Nb2 O5 |
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Fourquet J, Jacoboni C, de Pape R |
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Materials Research Bulletin 8 (1973) 393-404 |
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Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation |
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A de nouvelles positions cristallographiques dans les groupe d'espace Fd3m |
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_cod_database_code 1000495 |
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_database_code_amcsd 0014231 |
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10.525 10.525 10.525 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Cs1 .365 .365 .365 .125 |
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Cs2 .385 .385 .385 .125 |
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Nb1 0 0 0 |
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O1 .318 .125 .125 .8333 |
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F1 .318 .125 .125 .1667 |
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Co Cr F6 Rb |
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Fourquet J, Jacoboni C, de Pape R |
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Materials Research Bulletin 8 (1973) 393-404 |
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Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation |
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A de nouvelles positions cristallographiques dans le groupe d'espace Fd3m |
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_cod_database_code 1000499 |
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_database_code_amcsd 0014232 |
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10.277 10.277 10.277 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Rb1 .352 .352 .352 .125 |
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Rb2 .398 .398 .398 .125 |
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Co1 0 0 0 .5 |
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Cr1 0 0 0 .5 |
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F1 .312 .125 .125 |
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FeF3 |
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De Pape R, Ferey G |
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Materials Research Bulletin 21 (1986) 971-978 |
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A new form of FeF3 with the pyrochlore structure: Soft chemistry, |
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crystal structure, thermal transitions and structural correlations with |
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the other forms of FeF3 |
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_cod_database_code 1000228 |
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_database_code_amcsd 0014319 |
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10.325 10.325 10.325 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Fe1 0 0 0 |
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F1 .3104 .125 .125 |
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Al F4 H4 N |
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Fourquet J, Plet F, Courbion G, Bulou A, de Pape R |
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Revue de Chimie Minerale 16 (1979) 490-500 |
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Etude de la filiation structurale des phases M(I)AlF4 |
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(M(I) = K, Rb, Tl, N H4, Cs) |
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_cod_database_code 1000199 |
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_database_code_amcsd 0015388 |
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5.078 5.078 12.715 90 90 90 I-4c2 |
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atom x y z |
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N1 0 .5 .25 |
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Al1 0 0 0 |
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F1 0 0 .1386 |
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F2 .2097 .7097 0 |
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RbAlF4 |
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Fourquet J, Plet F, Courbion G, Bulou A, de Pape R |
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Revue de Chimie Minerale 16 (1979) 490-500 |
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Etude de la filiation structurale des phases M(I)AlF4 (M(I) = K,Rb,Tl,NH4,Cs) |
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_cod_database_code 1000496 |
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_database_code_amcsd 0015389 |
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5.125 5.125 6.283 90 90 90 P4/mbm |
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atom x y z |
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Rb1 0 .5 .5 |
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Al1 0 0 0 |
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F1 .237 .737 0 |
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F2 0 0 .273 |
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Al F5 H2 O Rb2 |
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Fourquet J, Plet F, de Pape R |
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Revue de Chimie Minerale 18 (1981) 19-26 |
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La structure cristalline de Rb2 Al F5, H2 O. Retour critique sur |
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le type structural Tl2 Al F5 |
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_cod_database_code 1000200 |
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_database_code_amcsd 0015391 |
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9.604 8.379 7.542 90 90 90 Cmcm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Rb1 .2835 .2195 .25 .0247 .0194 .0157 -.0067 0 0 |
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Al1 0 0 0 .0126 .0095 .0061 0 0 -.0009 |
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F1 .1846 0 0 .0142 .0242 .0166 0 0 -.0034 |
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F2 0 .2138 .0090 .0308 .0113 .0172 0 0 .0024 |
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F3 0 .9906 .25 .0292 .0218 .0066 0 0 0 |
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O1 0 .4567 .25 .0337 .0237 .0368 0 0 0 |
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H Nb O3 |
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Fourquet J, Renou M, De Pape R |
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Revue de Chimie Minerale 21 (1984) 383-390 |
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La reaction d'echange topotactique Li Nb O3 -> H Nb O3 en milieu acide |
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_cod_database_code 1000401 |
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_database_code_amcsd 0015397 |
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7.645 7.645 7.645 90 90 90 Im3 |
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atom x y z occ |
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Nb1 .25 .25 .25 |
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O1 0 .189 .289 |
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H1 0 .060 .304 .17 |
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H2 0 .196 .44 .17 |
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F3 Fe |
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Leblanc M, Pannetier J, Ferey G, de Pape R |
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Revue de Chimie Minerale 22 (1985) 107-114 |
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Single crystal refinement of the structure of rhombohedral Fe F3 |
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_cod_database_code 1000476 |
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_database_code_amcsd 0015398 |
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5.362 5.362 5.362 57.94 57.94 57.94 R-3c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 0 0 0 .0056 .0056 .0056 -.0020 -.002 -.002 |
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F1 -.1607 .6607 .25 .0112 .0112 .0112 -.0079 -.0029 -.0029 |
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| Download AMC data (View Text File)
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