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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 = 550 K |
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Note: U33 for O1 has been altered by personal communication with authors, Dec 2003 |
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_database_code_amcsd 0008235 |
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7.166 8.903 6.678 90 113.39 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 .66304 .5 .0303 .05306 .00964 .01404 0 -.00152 0 |
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Sn .5 .5 0 .0081 .00679 .00896 .00781 -.00039 .00271 .00000 |
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Si 3/4 .68153 .5 .0085 .00834 .00920 .00731 0 .00268 0 |
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O1 3/4 .5861 0 .0143 .00912 .01030 .02477 0 .00877 0 |
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O2 .9122 .5682 .6752 .0150 .01686 .01533 .00975 .00502 .00278 .00244 |
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O3 .3716 .71211 .8906 .0134 .01688 .01137 .01309 .00457 .00771 .00123 |
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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 (permalink)
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