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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 |
|
_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 |
|
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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 |
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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 |
|
_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 |
|
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 |
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(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions |
|
cristallographiques dans le cas du thallium |
|
_cod_database_code 1000170 |
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_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 |
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Nb1 0 0 0 .5 |
|
O1 .315 .125 .125 .6667 |
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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 |
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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 |
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O1 .320 .125 .125 .8333 |
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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 |
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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 |
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O1 .326 .125 .125 .8333 |
|
F1 .326 .125 .125 .1667 |
|
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|
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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 |
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_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 |
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Cs1 .385 .385 .385 .25 |
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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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|
| |
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Chiolite |
 |
Jacoboni C, Leble A, Rousseau J J |
| |
Journal of Solid State Chemistry 36 (1981) 297-304 |
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Determination precise de la structure de la chiolite Na5Al3F14 |
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et etude par R.P.E. de Na5Al3F14:Cr3+ |
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Locality: synthetic |
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_database_code_amcsd 0013413 |
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7.0138 7.0138 10.402 90 90 90 P4/mnc |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 0 0 .5 2.195 .00967 .00967 .00644 0 0 0 |
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Na2 .2768 .7768 .25 1.610 .00844 .00844 .00349 -.00323 .00167 -.00167 |
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Al1 0 0 0 .542 .00217 .00217 .00179 0 0 0 |
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Al2 0 .5 0 .562 .00327 .00198 .00153 -.00016 0 0 |
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F1 0 0 .1711 1.760 .01121 .01121 .00203 0 0 0 |
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F2 .0642 .2477 0 1.479 .00509 .00256 .00677 -.00014 0 0 |
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F3 .1794 .5364 .1198 1.386 .00830 .00597 .00313 -.00113 -.00236 .00005 |
|
|
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|
| |
|
LiMnFeF6 |
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Courbion G, Jacoboni C, de Pape R |
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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 |
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_cod_database_code 1000184 |
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_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) |
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Li1 0 0 0 |
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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 |
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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 |
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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 1000185 |
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_database_code_amcsd 0013496 |
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8.723 8.723 4.745 90 90 120 P321 |
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atom x y z |
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Fe1 0 0 0 |
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Fe2 1/3 2/3 .493 |
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Mn1 .360 0 0 |
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Li1 .69 0 .5 |
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F1 .537 .418 .273 |
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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 |
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Structural Type Na2SiF6 |
|
_cod_database_code 1000186 |
|
_database_code_amcsd 0013497 |
|
8.723 8.723 4.745 90 90 120 P321 |
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atom x y z |
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Fe1 0 0 0 |
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Fe2 1/3 2/3 .506 |
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Mn1 .352 0 0 |
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Li1 .714 0 .5 |
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F1 .541 .420 .268 |
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F2 .226 .462 .270 |
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F3 .221 .098 .226 |
|
|
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|
| |
|
AlF3 |
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LeBail A, Jacoboni C, LeBlanc M, de Pape R, Duroy H, Fourquet J |
| |
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 |
| |
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 |
|
_cod_database_code 1000475 |
|
_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 |
|
O1 0 .06 .25 .22 |
|
|
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|
| |
|
BaZr2F10*2H2O |
| |
Gao Y, Guery J, Le Bail A, Jacoboni C |
| |
Journal of Solid State Chemistry 98 (1992) 11-24 |
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Synthesis,X-ray single-crystal structure determination and dehydration |
|
study of BaZr2F10*2H2O by X-ray powder thermodiffractometry |
|
_cod_database_code 1000108 |
|
_database_code_amcsd 0013734 |
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7.8974 7.9076 14.7227 90 90 90 Pnam |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .12239 .09033 .25 .0225 .0158 .0108 -.0083 0 0 |
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Zr .33317 .33639 .99855 .0063 .0026 .0113 -.0003 .0000 .0005 |
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F1 .0058 .0095 .0794 .0142 .0120 .0122 .0036 -.0010 .0004 |
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F2 .0616 .2886 -.0022 .0074 .0068 .0566 -.0006 -.0001 .0007 |
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F3 .2872 .0663 -.0165 .0118 .0049 .0397 -.0019 .0007 .0001 |
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F4 .2935 .2697 .1284 .0345 .0230 .0187 -.0129 .0068 .0050 |
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F5 .2732 .3237 .8654 .0394 .0254 .0173 -.0150 -.0094 .0018 |
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O1 .3324 .5923 .25 .0449 .0254 .0267 .0196 0 0 |
|
O2 .5031 .0602 .2259 .5 .0247 .0407 .0460 -.0029 0 0 |
|
|
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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 |
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Rb2 .398 .398 .398 .125 |
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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 |
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atom x y z occ |
|
Cs1 .365 .365 .365 .125 |
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Cs2 .385 .385 .385 .125 |
|
Nb1 0 0 0 |
|
O1 .318 .125 .125 .8333 |
|
F1 .318 .125 .125 .1667 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
NaRb2Al3F12 |
| |
Le Bail A, Gao Y, Fourquet J, Jacoboni C |
| |
Materials Research Bulletin 25 (1990) 831-839 |
|
Structure determination of A2NaAl3F12 (A=K,Na) |
|
_cod_database_code 1000146 |
|
_database_code_amcsd 0014346 |
|
12.046 6.984 7.093 90 125.04 90 P2_1/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Rb1 .8827 .25 .8768 .0257 .0253 .0227 0 0 .0159 |
|
Rb2 .3618 .75 .8805 .0193 .0261 .0138 0 0 .0066 |
|
Na .2450 .25 .0264 |
|
Al1 .5 .5 .5 |
|
Al2 0 0 .5 |
|
Al3 .2716 .25 .5605 |
|
F1 .5108 .25 .4333 |
|
F2 .3608 .25 .8577 |
|
F3 .0564 .75 .5623 |
|
F4 .8209 .75 .7320 |
|
F5 .6393 .0319 .7849 |
|
F6 .3849 .0648 .5831 |
|
F7 .9308 .9633 .2097 |
|
F8 .8371 .5612 .4499 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K2NaAl3F12 |
| |
Le Bail A, Gao Y, Fourquet J, Jacoboni C |
| |
Materials Research Bulletin 25 (1990) 831-839 |
|
Structure determination of A2NaAl3F12 (A=K,Na) |
|
_cod_database_code 1000147 |
|
_database_code_amcsd 0014347 |
|
11.882 6.983 9.942 90 125.59 90 P2_1/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K1 .8937 .25 .9071 .0222 .0254 .0229 0 0 .0147 |
|
K2 .3581 .75 .8923 .0155 .0359 .0201 0 0 .0081 |
|
Na .2407 .25 .0312 .0144 .0137 .0127 0 0 .0082 |
|
Al1 .5 .5 .5 .0078 .0054 .0089 -.0004 .0053 .0003 |
|
Al2 0 0 .5 .0073 .0058 .0085 -.0002 .0048 .0001 |
|
Al3 .2811 .25 .5891 .0075 .0079 .0096 0 0 .0062 |
|
F1 .4984 .25 .4189 .0156 .0062 .0136 0 0 .0094 |
|
F2 .3788 .25 .8985 .0125 .0270 .0092 0 0 .0056 |
|
F3 .0582 .75 .5843 .0115 .0055 .0145 0 0 .0062 |
|
F4 .8215 .75 .7174 .0137 .0235 .0090 0 0 .0060 |
|
F5 .6510 .0405 .7849 .0120 .0127 .0115 -.0005 .0040 -.0007 |
|
F6 .3946 .0626 .6068 .0154 .0111 .0199 .0043 .0141 .0022 |
|
F7 .9490 .9565 .2112 .0187 .0125 .0104 -.0016 .0088 -.0021 |
|
F8 .8260 .5608 .4081 .0095 .0120 .0205 .0009 .0090 -.0029 |
|
|
| Download AMC data (View Text File)
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|
| |
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