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
Note: anisoB's from ICSD
Sample: y = .45
_database_code_amcsd 0009850
5.5906 5.5906 22.519 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        .1656  .1656 .00242  .0828       0       0
Na2   .89702 -.89702    .25 .017        .1338  .1338 .00039 -.0400       0       0
CdB   .78763 -.78763    .25 .074        .4932  .4932 .00097 -.4245       0       0
Al1  -.16765 -.33530 .10661 .963 .0046 .00359 .00288 .00022 .00144       0       0
Al2      1/3     2/3 .02475      .0037 .00291 .00291 .00018 .00146       0       0
Al3      1/3     2/3 .17577      .0060  .0054  .0054 .00022 .00270       0       0
Al4        0       0      0      .0040 .00320 .00320 .00019 .00160       0       0
Al5  -.16333  -.3267 .17345 .037 .0046 .00359 .00288 .00022 .00144       0       0
O1    .15728  .31456 .04983      .0049 .00458 .00317 .00022 .00159 -.00002 -.00005
O2    .50314  .49686 .14646      .0059 .00383 .00383 .00034 .00144  .00005 -.00005
O3       2/3     1/3 .05539      .0051 .00434 .00434 .00016 .00217       0       0
O4         0       0 .14212      .0045 .00337 .00337 .00023 .00168       0       0
O5       1/3     2/3    .25             .0468  .0468 .00022  .0234       0       0
O6       5/6     1/6    .25 .037 .0030