American Mineralogist Crystal Structure Database

3 matching records for this search.

Sitinakite
Download hom/sitinakite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sitinakite
Download hom/sitinakite.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sitinakite
Download hom/sitinakite.pdf
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 = 573 K dehydrated sample
_database_code_amcsd 0012224
10.6772 10.6772 11.8850 90 90 90 P4_2/mbc
atom     x     y     z Biso
Na1   .717 -.199     0  2.6
Na2   .648  .258     0  1.3
Na3   .585  .121  .189  1.5
Na4   .475  .917     0    3
Na5     .5     0   .25    6
Ti   .8599 .0329 .1560  .71
Si    .311  .198   .25  1.5
O1    .853 .0162     0   .6
O2   .7127 .9350 .1828  1.8
O3   .8859 .0276 .3320  1.6
O4   .7870 .1983 .1582  1.9
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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