Sitinakite
Thorogood G J, Kennedy B J, Griffith C S, Elcombe M E, Avdeev M,
Hanna J V, Thorogood S K, Luca V
Chemistry of Materials 22 (2010) 4222-4231
Structure and phase transformations in the titanosilicate, sitinakite.
The importance of water
Locality: synthetic
Note: T = 298 K with neutron
_database_code_amcsd 0012223
7.8099 7.8099 11.956 90 90 90 P4_2/mcm
atom     x    y     z Biso
Na1      0   .5    .5    7
Na2    .27  .27     0    3
Na3     .5   .5   .38    3
Ti    .147 .147  .160  1.7
Si       0   .5   .25  2.6
O1    .127 .384 .1710   .9
O2    .109 .109  .327   .9
O4    .147 .147     0   .9
O(W1) .294 .294    .5    9
O(W2) .439 .439  .333    3
D(W1) .217 .217  .445  6.2
D(W2) .439 .439  .124    6