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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 = 670 K |
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_database_code_amcsd 0008236 |
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7.173 8.901 6.683 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 .66316 .5 .0327 .05703 .01036 .01530 0 -.00186 0 |
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Sn .5 .5 0 .0087 .00745 .00925 .00906 -.00040 .00304 .00067 |
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Si 3/4 .68171 .5 .0091 .00942 .00904 .00812 0 .00281 0 |
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O1 3/4 .5861 0 .0157 .00978 .01170 .02760 0 .00951 0 |
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O2 .9124 .5682 .6752 .0157 .01776 .01571 .01132 .00528 .00324 .00209 |
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O3 .3712 .71202 .8913 .0146 .01922 .01193 .01466 .00522 .00888 .00155 |
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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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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 142 C |
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Locality: Ellora Caves, Hyderabad State, India |
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_database_code_amcsd 0010750 |
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4.989 4.989 6.991 90 90 90 P4_12_12 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .297673 .297673 0 .0102561 .0102561 .0054842 -.0002928 .0008236 -.0008236 |
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O .2410227 .0999381 .1760246 .0341635 .0116554 .0089425 -.0017053 .0047251 .0025348 |
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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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