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Malayaite |
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Zhang M, Meyer H W, Groat L A, Bismayer U, Salje E K H, Adiwidjaja G |
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Physics and Chemistry of Minerals 26 (1999) 546-553 |
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An infrared spectroscopic and single-crystal X-ray study |
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of malayaite, CaSnSiO5 |
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Sample: T = 730 K |
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Note: x-coordinate of O1 altered from the value reported |
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_database_code_amcsd 0008237 |
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7.167 8.912 6.688 90 113.36 90 A2/a |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .25 .6631 .5 .0347 .06006 .01158 .01647 0 -.00181 0 |
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Sn .5 .5 0 .0095 .00833 .01017 .00995 -.00048 .00355 .00011 |
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Si 3/4 .6816 .5 .0099 .01066 .00986 .00875 0 .00331 0 |
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O1 3/4 .5864 0 .0169 .01140 .01267 .02968 0 .01129 0 |
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O2 .9121 .5683 .6752 .0177 .02003 .01796 .01284 .00596 .00422 .00254 |
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O3 .3722 .7122 .8915 .0158 .01954 .01373 .01686 .00544 .01018 .00187 |
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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