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Danburite |
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Sugiyama K, Takeuchi Y |
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Zeitschrift fur Kristallographie 173 (1985) 293-304 |
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Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 |
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Locality: Toroku mine, Miyazaki Prefecture, Japan |
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Note: AnisoB's from ICSD |
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Sample: T = 407 C |
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_database_code_amcsd 0010948 |
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8.061 8.777 7.745 90 90 90 Pnam |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .38733 .07669 .25 1.336 .00565 .00386 .0056 -.00015 0 0 |
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B .2599 .4190 .4206 .943 .0037 .0029 .0041 .0000 .0002 -.0001 |
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Si .05432 .19252 -.05619 .714 .00307 .00205 .00296 -.00009 .00005 -.00005 |
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O1 .1935 .0683 -.0045 1.405 .0058 .0030 .0075 .0016 -.0013 -.0009 |
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O2 .1270 .3646 -.0413 1.159 .0048 .0026 .0060 -.0009 -.0018 .0005 |
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O3 .4016 .3143 .0776 1.125 .0039 .0039 .0048 .0008 .0008 .0008 |
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O4 .5117 .6658 .25 1.389 .0066 .0054 .0032 .0018 0 0 |
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O5 .1857 .4270 .25 1.341 .0042 .0070 .0032 .0014 0 0 |
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