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