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 = 20 K with neutron
_database_code_amcsd 0012222
7.880 7.880 11.953 90 90 90 P4_2/mcm
atom     x    y     z Biso
Na       0   .5    .5  1.1
Ti    .156 .156  .153   .3
Si       0   .5   .25  1.4
O1    .121 .379 .1686 1.01
O2    .116 .116  .327   .4
O4    .151 .151     0  2.3
O(W1) .283 .283    .5  2.4
O(W2)   .5   .5  .192 12.1
D(W1) .211 .211  .434  6.2
D(W2) .548 .548  .950  2.8