American Mineralogist Crystal Structure Database

12 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
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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
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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
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View JMOL 3-D Structure (permalink)
 
Tantalaeschynite-(La)
 
Thorogood G J, Avdeev M, Kennedy B J
 
Solid State Sciences 12 (2010) 1263-1269
Structural studies of the aeschynite-euxenite transformation in
the series Ln(TiTa)O6 Ln = lanthanide
Locality: Synthetic
_database_code_amcsd 0018923
10.9420 7.5831 5.4614 90 90 90 Pnma
atom     x     y     z occ Biso
La   .4581   .75 .0407      .97
Ta   .6435 .5049 .4603  .5  .60
Ti   .6435 .5049 .4603  .5  .60
O1   .4732 .4646 .2708     1.05
O2   .2889 .9478 .8677      .91
O3   .3563   .75 .4588     1.06
O4   .6249   .75 .3513      .85
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View JMOL 3-D Structure (permalink)
 
Tantalaeschynite-(Ce)
 
Thorogood G J, Avdeev M, Kennedy B J
 
Solid State Sciences 12 (2010) 1263-1269
Structural studies of the aeschynite-euxenite transformation in
the series Ln(TiTa)O6 Ln = lanthanide
Locality: Synthetic
_database_code_amcsd 0018924
10.9694 7.5288 5.3829 90 90 90 Pnma
atom      x     y     z occ Biso
Ce    .4588   .75 .0433      .68
Ta    .6436 .5052 .4601  .5 1.00
Ti    .6436 .5052 .4601  .5 1.00
O1    .4752 .4645 .2698      .45
O2    .2890 .9442 .8686      .69
O3   .35514   .75 .4523      .68
O4    .6228   .75 .3466      .13
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Tantalaeschynite-(Pr)
 
Thorogood G J, Avdeev M, Kennedy B J
 
Solid State Sciences 12 (2010) 1263-1269
Structural studies of the aeschynite-euxenite transformation in
the series Ln(TiTa)O6 Ln = lanthanide
Locality: Synthetic
_database_code_amcsd 0018925
10.9511 7.5288 5.3829 90 90 90 Pnma
atom     x     y     z occ Biso
Pr   .4577   .75 .0412      .79
Ta   .6435 .5058 .4591  .5  .60
Ti   .6435 .5058 .4591  .5  .60
O1   .4736 .4645 .2653     1.05
O2   .2890 .9436 .8660     1.10
O3   .3571   .75 .4499      .68
O4   .6228   .75 .3466      .85
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View JMOL 3-D Structure (permalink)
 
Tantalaeschynite-(Nd)
 
Thorogood G J, Avdeev M, Kennedy B J
 
Solid State Sciences 12 (2010) 1263-1269
Structural studies of the aeschynite-euxenite transformation in
the series Ln(TiTa)O6 Ln = lanthanide
Locality: Synthetic
_database_code_amcsd 0018926
10.9771 7.5051 5.3602 90 90 90 Pnma
atom     x     y     z occ Biso
Nd   .4560   .75 .0434      .21
Ta   .6432 .5056 .4581  .5  .60
Ti   .6432 .5056 .4581  .5  .60
O1   .4745 .4648 .2657      .26
O2   .2884 .9428 .8693      .43
O3   .3582   .75 .4492      .19
O4   .6235   .75 .3383      .35
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View JMOL 3-D Structure (permalink)
 
Tantalaeschynite-(Tb)
 
Thorogood G J, Avdeev M, Kennedy B J
 
Solid State Sciences 12 (2010) 1263-1269
Structural studies of the aeschynite-euxenite transformation in
the series Ln(TiTa)O6 Ln = lanthanide
Locality: Synthetic
_database_code_amcsd 0018927
10.977 7.414 5.2380 90 90 90 Pnma
atom     x     y     z occ Biso
Tb   .4596   .75 .0327     1.99
Ta   .6426 .5068 .4579  .5  .60
Ti   .6426 .5068 .4579  .5  .60
O1   .4746 .4576 .2721     1.50
O2   .2878 .9375 .8815     1.02
O3   .3509   .75 .4446      .96
O4   .6230   .75 .3274     2.44
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View JMOL 3-D Structure (permalink)
 
Tanteuxenite-(Ho)
 
Thorogood G J, Avdeev M, Kennedy B J
 
Solid State Sciences 12 (2010) 1263-1269
Structural studies of the aeschynite-euxenite transformation in
the series Ln(TiTa)O6 Ln = lanthanide
Locality: Synthetic
_database_code_amcsd 0018928
14.6236 5.5637 5.2030 90 90 90 Pbcn
atom     x     y     z occ Biso
Ho       0 .2321   .25      .31
Ti   .1682 .3228 .8224  .5 1.00
Ta   .1682 .3228 .8224  .5 1.00
O1   .9070 .5612 .4667     1.09
O2   .0889 .0957 .9151      .40
O3   .2579 .1434 .6603     1.88
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View JMOL 3-D Structure (permalink)
 
Tanteuxenite-(Tm)
 
Thorogood G J, Avdeev M, Kennedy B J
 
Solid State Sciences 12 (2010) 1263-1269
Structural studies of the aeschynite-euxenite transformation in
the series Ln(TiTa)O6 Ln = lanthanide
Locality: Synthetic
_database_code_amcsd 0018929
14.5706 5.5339 5.1832 90 90 90 Pbcn
atom     x     y     z occ Biso
Tm       0 .2324   .25      .79
Ti   .1676 .3235 .8222  .5 1.00
Ta   .1676 .3235 .8222  .5 1.00
O1   .9087 .5637 .4685      .72
O2   .0867 .0926 .9168      .58
O3   .2590 .1381 .6519     1.50
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tanteuxenite-(Yb)
 
Thorogood G J, Avdeev M, Kennedy B J
 
Solid State Sciences 12 (2010) 1263-1269
Structural studies of the aeschynite-euxenite transformation in
the series Ln(TiTa)O6 Ln = lanthanide
Locality: Synthetic
_database_code_amcsd 0018930
14.5478 5.5289 5.1683 90 90 90 Pbcn
atom     x     y     z occ Biso
Yb       0 .2293   .25      .87
Ti   .1685 .3209 .8205  .5 1.00
Ta   .1685 .3209 .8205  .5 1.00
O1   .9073 .5682 .4693      .80
O2   .0863 .0898 .9209      .56
O3   .2591 .1321 .6460      .66
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View JMOL 3-D Structure (permalink)
 
Tanteuxenite-(Lu)
 
Thorogood G J, Avdeev M, Kennedy B J
 
Solid State Sciences 12 (2010) 1263-1269
Structural studies of the aeschynite-euxenite transformation in
the series Ln(TiTa)O6 Ln = lanthanide
Locality: Synthetic
_database_code_amcsd 0018931
14.5288 5.5226 5.1572 90 90 90 Pbcn
atom     x     y     z occ Biso
Lu       0 .2273   .25      .97
Ti   .1671 .3202 .8207  .5 1.00
Ta   .1671 .3202 .8207  .5 1.00
O1   .9084 .5700 .4735      .83
O2   .0855 .0879 .9185      .80
O3   .2595 .1322 .6486      .84
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 12
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