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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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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Titanite |
|
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 |
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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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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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| |
|
Titanite |
|
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 |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
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 |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
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 |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
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 |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
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 |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Titanite |
|
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 |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Nickeline |
|
Thompson J G, Rae A D, Withers R L, Welberry T R, Willis A C |
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Journal of Physics C: Solid State Physics 21 (1988) 4007-4015 |
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The crystal structure of nickel arsenide |
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Locality: synthetic |
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Note: room temperature, solution 1 |
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_database_code_amcsd 0013179 |
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10.8568 6.2682 5.0340 90 90 90 Cmc2_1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni1 0 .0029 -.0011 .0101 .0101 .0046 0 0 0 |
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Ni2 .3333 -.0070 .0006 .0101 .0101 .0046 0 0 0 |
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As1 0 .3333 .7419 .0059 .0059 .0103 0 0 0 |
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As2 .3333 .3333 .7541 .0059 .0059 .0103 0 0 0 |
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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
|
| |
|
Nickeline |
|
Thompson J G, Rae A D, Withers R L, Welberry T R, Willis A C |
| |
Journal of Physics C: Solid State Physics 21 (1988) 4007-4015 |
|
The crystal structure of nickel arsenide |
|
Locality: synthetic |
|
Note: room temperature, solution 2 |
|
_database_code_amcsd 0013180 |
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10.8568 6.2682 5.0340 90 90 90 Cmc2_1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni1 0 .0104 -.0005 .0101 .0101 .0046 0 0 0 |
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Ni2 .3333 .0004 .0003 .0101 .0101 .0046 0 0 0 |
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As1 0 .3333 .7419 .0059 .0059 .0103 0 0 0 |
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As2 .3333 .3333 .7540 .0059 .0059 .0103 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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