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Sitinakite |
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Thorogood G J, Kennedy B J, Griffith C S, Elcombe M E, Avdeev M, |
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Hanna J V, Thorogood S K, Luca V |
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Chemistry of Materials 22 (2010) 4222-4231 |
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Structure and phase transformations in the titanosilicate, sitinakite. |
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The importance of water |
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Locality: synthetic |
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Note: T = 20 K with neutron |
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_database_code_amcsd 0012222 |
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7.880 7.880 11.953 90 90 90 P4_2/mcm |
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atom x y z Biso |
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Na 0 .5 .5 1.1 |
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Ti .156 .156 .153 .3 |
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Si 0 .5 .25 1.4 |
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O1 .121 .379 .1686 1.01 |
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O2 .116 .116 .327 .4 |
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O4 .151 .151 0 2.3 |
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O(W1) .283 .283 .5 2.4 |
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O(W2) .5 .5 .192 12.1 |
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D(W1) .211 .211 .434 6.2 |
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D(W2) .548 .548 .950 2.8 |
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| 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 |
|
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 |
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_database_code_amcsd 0012223 |
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7.8099 7.8099 11.956 90 90 90 P4_2/mcm |
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atom x y z Biso |
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Na1 0 .5 .5 7 |
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Na2 .27 .27 0 3 |
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Na3 .5 .5 .38 3 |
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Ti .147 .147 .160 1.7 |
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Si 0 .5 .25 2.6 |
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O1 .127 .384 .1710 .9 |
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O2 .109 .109 .327 .9 |
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O4 .147 .147 0 .9 |
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O(W1) .294 .294 .5 9 |
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O(W2) .439 .439 .333 3 |
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D(W1) .217 .217 .445 6.2 |
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D(W2) .439 .439 .124 6 |
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|
| 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 |
|
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 |
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_database_code_amcsd 0012224 |
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10.6772 10.6772 11.8850 90 90 90 P4_2/mbc |
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atom x y z Biso |
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Na1 .717 -.199 0 2.6 |
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Na2 .648 .258 0 1.3 |
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Na3 .585 .121 .189 1.5 |
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Na4 .475 .917 0 3 |
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Na5 .5 0 .25 6 |
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Ti .8599 .0329 .1560 .71 |
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Si .311 .198 .25 1.5 |
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O1 .853 .0162 0 .6 |
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O2 .7127 .9350 .1828 1.8 |
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O3 .8859 .0276 .3320 1.6 |
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O4 .7870 .1983 .1582 1.9 |
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|
| 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 |
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Sokolova E V, Rastsvetaeva R K, Andrianov V I, Egorov-Tismenko Y K, |
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Men'shikov Y P |
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Soviet Physics Doklady 34 (1989) 583-585 |
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The crystal structure of a new sodium titanosilicate |
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Locality: Khibinskii alkaline massif, Russia |
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_database_code_amcsd 0015618 |
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7.819 7.819 12.099 90 90 90 P4_2/mcm |
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atom x y z occ Biso |
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Na 0 .5 0 3.3 |
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K1 .398 .398 .5 .1925 5.1 |
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K2 .463 .463 .372 .0763 6.7 |
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Ti .1387 .1387 .6535 .95 .62 |
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NbTi .1387 .1387 .6535 .05 .62 |
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Si 0 .5 .25 1.04 |
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O2 .1426 .1426 .5 1.0 |
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O3 .1142 .1142 .1723 1.2 |
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O4 .1195 .3828 .6700 1.3 |
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Wat1 .269 .269 0 3.4 |
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Wat5 .5 .5 .25 .82 4.7 |
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Wat6 .5 .5 .31 .1 6.6 |
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Wat7 .478 .478 .421 .0988 6.4 |
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Wat8 .42 .42 .161 .0688 4.4 |
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Na8 .42 .42 .161 .0275 4.4 |
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|
| 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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