Diaoyudaoite
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
Locality: synthetic
Sample: y = .21
Note: anisoB's from ICSD
_database_code_amcsd 0009849
5.5921 5.5921 22.526 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)
Na1      2/3     1/3    .25 .723        .1304  .1304 .00158  .0652       0       0
Na2   .89702 -.89702    .25 .095        .1338  .1338 .00039 -.0400       0       0
CdB   .78763 -.78763    .25 .035        .1593  .1593 .00123 -.0684       0       0
Al1  -.16771 -.33542 .10643 .963 .0048 .00403 .00328 .00022 .00164  .00002  .00003
Al2      1/3     2/3 .02479      .0039 .00318 .00318 .00016 .00159       0       0
Al3      1/3     2/3 .17564      .0061 .00588 .00588 .00017 .00294       0       0
Al4        0       0      0      .0044 .00373 .00373 .00017 .00186       0       0
Al5  -.16365  -.3273 .17496 .037 .0055 .00403 .00328 .00022 .00164  .00002  .00003
O1    .15730   .3146 .04999      .0049 .00494 .00310 .00020 .00155 -.00002 -.00003
O2    .50311  .49689 .14640      .0059 .00393 .00393 .00033 .00152  .00005 -.00005
O3       2/3     1/3 .05545      .0052 .00480 .00480 .00015 .00240       0       0
O4         0       0 .14223      .0048 .00354 .00354 .00023 .00177       0       0
O5       1/3     2/3    .25             .0501  .0501 .00016 .02505       0       0
O6       5/6     1/6    .25 .037 .0030