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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 = 910 C |
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_database_code_amcsd 0010951 |
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8.101 8.801 7.786 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 .3892 .0768 .25 2.328 .0099 .0066 .0097 -.0003 0 0 |
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B .2619 .4186 .4197 1.412 .0056 .0042 .0061 -.0003 -.0001 -.0003 |
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Si .05564 .19260 -.05649 1.167 .0050 .00322 .0049 -.00008 -.00007 -.00021 |
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O1 .1944 .0684 -.0061 2.324 .0095 .0048 .0124 .0026 -.0023 -.0016 |
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O2 .1281 .3641 -.0404 1.920 .0087 .0039 .0093 -.0015 -.0031 .0005 |
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O3 .4032 .3151 .0766 1.882 .0067 .0066 .0066 .0017 .0019 .0008 |
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O4 .5102 .6676 .25 2.299 .0112 .0089 .0050 .0024 0 0 |
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O5 .1882 .4250 .25 2.205 .0068 .0116 .0051 .0019 0 0 |
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