American Mineralogist Crystal Structure Database

16 matching records for this search.

Titanite
Download hom/titanite.pdf
Troitzsch U, Ellis D J
Download am/vol84/AM84_1162.pdf
American Mineralogist 84 (1999) 1162-1169
The synthesis and crystal structure of CaAlFSiO4, the Al-F analog of titanite
_database_code_amcsd 0002273
6.9149 8.5064 6.4384 90 114.684 90 A2/a
atom     x     y     z Biso
Ca     .25 .1637     0 1.50
Al      .5     0    .5 1.75
Si     .75 .1860     0 1.21
F1     .75 .0709    .5 1.15
O2   .9031 .0667 .1904 0.80
O3   .3887 .2011 .4031 0.79
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Titanite
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Troitzsch U, Ellis D J, Thompson J, Fitz-Gerald J
 
European Journal of Mineralogy 11 (1999) 955-965
Crystal structural changes in titanite along the join TiO-AlF
Sample: AlF09
_database_code_amcsd 0006799
7.0541 8.6925 6.5445 90 113.903 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1666     0      1.94
Aloct    .5     0    .5 .099 1.98
Tioct    .5     0    .5 .901 1.98
Si      .75 .1846     0      1.62
O1      .75 .0666    .5 .901  .65
F1      .75 .0666    .5 .099  .65
O2    .9070 .0670 .1832       .65
O3    .3842 .2086 .4001       .65
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View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Troitzsch U, Ellis D J, Thompson J, Fitz-Gerald J
 
European Journal of Mineralogy 11 (1999) 955-965
Crystal structural changes in titanite along the join TiO-AlF
Sample: AlF18
_database_code_amcsd 0006800
7.0511 8.6722 6.5325 90 114.026 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1659     0      1.77
Aloc     .5     0    .5 .182 1.64
Tioct    .5     0    .5 .818 1.64
Si      .75 .1833     0       .93
O1      .75 .0689    .5 .818  .09
F1      .75 .0689    .5 .182  .09
O2    .9096 .0664 .1849       .09
O3    .3853 .2088 .3989       .09
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View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Troitzsch U, Ellis D J, Thompson J, Fitz-Gerald J
 
European Journal of Mineralogy 11 (1999) 955-965
Crystal structural changes in titanite along the join TiO-AlF
Sample: AlF29
_database_code_amcsd 0006801
7.0462 8.6529 6.5231 90 114.143 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1652     0      1.85
Aloct    .5     0    .5 .291 1.75
Tioct    .5     0    .5 .709 1.75
Si      .75 .1834     0      1.59
O1      .75 .0674    .5 .709  .49
F1      .75 .0674    .5 .291  .49
O2    .9071 .0669 .1852       .49
O3    .3821 .2103 .3993       .49
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View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Troitzsch U, Ellis D J, Thompson J, Fitz-Gerald J
 
European Journal of Mineralogy 11 (1999) 955-965
Crystal structural changes in titanite along the join TiO-AlF
Sample: AlF37
_database_code_amcsd 0006802
7.0368 8.6360 6.5135 90 114.232 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1651     0      1.28
Aloct    .5     0    .5 .372 1.59
Tioct    .5     0    .5 .628 1.59
Si      .75 .1837     0       .83
O1      .75 .0698    .5 .628  .38
F1      .75 .0698    .5 .372  .38
O2    .9030 .0654 .1850       .38
O3    .3796 .2083 .3948       .38
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View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Troitzsch U, Ellis D J, Thompson J, Fitz-Gerald J
 
European Journal of Mineralogy 11 (1999) 955-965
Crystal structural changes in titanite along the join TiO-AlF
Sample: AlF49
_database_code_amcsd 0006803
7.0229 8.6130 6.5023 90 114.344 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1639     0      1.64
Aloct    .5     0    .5 .489 1.52
Tioct    .5     0    .5 .511 1.52
Si      .75 .1848     0      1.19
O1      .75 .0674    .5 .511  .50
F1      .75 .0674    .5 .489  .50
O2    .9052 .0673 .1885       .50
O3    .3838 .2057 .4017       .50
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Troitzsch U, Ellis D J, Thompson J, Fitz-Gerald J
 
European Journal of Mineralogy 11 (1999) 955-965
Crystal structural changes in titanite along the join TiO-AlF
Sample: AlF67
_database_code_amcsd 0006804
6.9904 8.5759 6.4798 90 114.480 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1632     0      1.66
Aloct    .5     0    .5 .672 1.70
Tioct    .5     0    .5 .328 1.70
Si      .75 .1856     0      1.22
O1      .75 .0684    .5 .328  .81
F1      .75 .0684    .5 .672  .81
O2    .9036 .0650 .1893       .81
O3    .3850 .2049 .4045       .81
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Troitzsch U, Ellis D J, Thompson J, Fitz-Gerald J
 
European Journal of Mineralogy 11 (1999) 955-965
Crystal structural changes in titanite along the join TiO-AlF
Sample: AlF82
_database_code_amcsd 0006805
6.9580 8.5445 6.4612 90 114.585 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1623     0      1.87
Aloct    .5     0    .5 .819 2.20
Tioct    .5     0    .5 .181 2.20
Si      .75 .1865     0      1.45
O1      .75 .0698    .5 .181  .95
F1      .75 .0698    .5 .819  .95
O2    .9028 .0624 .1901       .95
O3    .3845 .2028 .4049       .95
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Troitzsch U, Ellis D J, Thompson J, Fitz-Gerald J
 
European Journal of Mineralogy 11 (1999) 955-965
Crystal structural changes in titanite along the join TiO-AlF
Sample: AlF100
_database_code_amcsd 0006806
6.9157 8.5076 6.4391 90 114.683 90 A2/a
atom      x     y     z Biso
Ca      .25 .1642     0 1.34
Aloct    .5     0    .5 1.40
Si      .75 .1867     0 1.03
F1      .75 .0694    .5  .56
O2    .9048 .0662 .1877  .56
O3    .3898 .2020 .4054  .56
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View JMOL 3-D Structure (permalink)
 
Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.425
_database_code_amcsd 0008983
4.8495 5.4635 5.0462 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .2015  .25 .575
TiM     0 .2015  .25 .425
O    .270  .399 .429
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View JMOL 3-D Structure (permalink)
 
Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.450
_database_code_amcsd 0008984
4.8349 5.4801 5.0439 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .2011  .25 .550
TiM     0 .2011  .25 .450
O    .269  .400 .434
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.500
_database_code_amcsd 0008985
4.8069 5.4785 5.0339 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .1992  .25 .500
TiM     0 .1992  .25 .500
O    .271  .398 .432
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.548
_database_code_amcsd 0008986
4.7762 5.5010 5.0253 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .1947  .25 .452
TiM     0 .1947  .25 .548
O    .268  .401 .429
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.600
_database_code_amcsd 0008987
4.7447 5.4925 5.0119 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .1949  .25 .400
TiM     0 .1949  .25 .600
O    .270  .393 .428
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.650
_database_code_amcsd 0008988
4.7200 5.5078 5.0018 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .1905  .25 .350
TiM     0 .1905  .25 .650
O    .273  .395 .431
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.666
_database_code_amcsd 0008989
4.7112 5.4944 4.9962 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .1915  .25 .334
TiM     0 .1915  .25 .666
O    .270  .389 .430
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: 16
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