KxMgx/2Ti8-x/2O16
Michiue Y
Acta Crystallographica B63 (2007) 577-583
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16
(A = K, Rb)
Locality: synthetic
Sample: 4
_database_code_amcsd 0009958
10.1541 10.1541 2.9735 90 90 90 I4/m
atom       x       y     z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
K1         0       0    .5  .310  .0363  .0292  .0292   .051       0      0      0
K2         0       0  .266  .230  .0371  .0164  .0164   .079       0      0      0
Ti   .350896 .167626     0 .9038 .00768 .00798 .00865 .00642  .00101      0      0
Mg   .350896 .167626     0 .0962 .00768 .00798 .00865 .00642  .00101      0      0
O1    .15535  .20504     0       .00686 .00671 .00676 .00709 -.00007      0      0
O2    .54050  .16558     0       .00827 .00577 .01073 .00829  .00021      0      0