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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 = 208 C |
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_database_code_amcsd 0010947 |
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8.046 8.765 7.734 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 .38657 .07657 .25 1.066 .00453 .00305 .00454 -.00010 0 0 |
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B .2593 .4190 .4206 .835 .0035 .0025 .0035 -.0001 .0001 -.0002 |
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Si .05381 .19252 -.05598 .638 .00292 .00177 .00257 -.00005 .00001 -.00006 |
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O1 .1930 .0679 -.0038 1.154 .0044 .0028 .0061 .0012 -.0012 -.0006 |
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O2 .1266 .3649 -.0417 1.012 .0046 .0023 .0048 -.0007 -.0015 .0003 |
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O3 .4006 .3138 .0779 .950 .0035 .0032 .0040 .0007 .00079 .0005 |
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O4 .5125 .6651 .25 1.129 .0051 .0046 .0028 .0012 0 0 |
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O5 .1849 .4274 .25 1.116 .0029 .0058 .0034 .0009 0 0 |
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