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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 = 618 C |
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_database_code_amcsd 0010949 |
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8.078 8.786 7.762 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 .3881 .0767 .25 1.726 .0074 .0050 .0071 -.00022 0 0 |
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B .2608 .4189 .4203 1.098 .0047 .0035 .0040 -.0001 .0000 .0000 |
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Si .05489 .19258 -.05643 .899 .0040 .00254 .0036 -.00006 .00008 -.00004 |
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O1 .1938 .0681 -.0052 1.759 .0069 .0037 .0096 .0019 -.0017 -.0010 |
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O2 .1273 .3646 -.0412 1.483 .0064 .0032 .0074 -.0013 -.0024 .0004 |
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O3 .4024 .3145 .0773 1.432 .0052 .0052 .0055 .0012 .0015 .0009 |
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O4 .5116 .6666 .25 1.787 .0084 .0072 .0040 .0024 0 0 |
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O5 .1865 .4259 .25 1.747 .0053 .0095 .0039 .0015 0 0 |
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