Cd.61Al11O17.11
Edstrom K, Thomas J O, Farrington G C
Acta Crystallographica B47 (1991) 635-643
Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina
Note: anisoB's from ICSD
Sample: y = 1.22
_database_code_amcsd 0009851
5.5869 5.5869 22.370 90 90 120 P6_3/mmc
atom       x        y      z  occ  Uiso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
CdC   .86044    .1396    .25 .129        .0527  .0527 .00084  .0317       0       0
CdD   .83617    .1638 .26124 .023        .0297  .0297 .00054 -.0073       0       0
CdE   .73583    .3320    .25 .011        .0661  .0661 .00030 .00849       0       0
CdF   .79815    .2926    .25 .004        .0370  .0370 .00136 -.0063       0       0
Al1  -.16795  -.33590 .10711 .963 .0055 .00522 .00522 .00018 .00261       0       0
Al2      1/3      2/3 .02501      .0041 .00437 .00437 .00020 .00219       0       0
Al3      1/3      2/3 .17632      .0075 .00442 .00363 .00026 .00181 -.00002 -.00005
Al4        0        0      0      .0044  .0529  .0529 .00015  .0217       0       0
Al5  -.16019  -.32038 .17540 .037 .0055 .00550 .00339 .00022 .00169 -.00001 -.00001
O1    .15714   .31428 .05028      .0053 .00442 .00363 .00026 .00181 -.00002 -.00005
O2    .50234   .49766 .14684      .0071 .00341 .00341 .00018 .00171       0       0
O3       2/3      1/3 .05578      .0055 .00689 .00689 .00015 .00345       0       0
O4         0        0 .14368      .0049 .00397 .00397 .00016 .00198       0       0
O5   .277736 -.277736    .25  1/3       .00463 .00463 .00042 .00196  .00001 -.00001
O6       5/6      1/6    .25 .037 .0030