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Monticellite |
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Pilati T, Demartin F, Gramaccioli C M |
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Acta Crystallographica B51 (1995) 721-733 |
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Thermal parameters for minerals of the olivine group: |
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their implication on vibrational spectra, |
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thermodynamic functions and transferable force fields |
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Locality: Crestmore, California, USA |
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_database_code_amcsd 0019700 |
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11.1098 6.3894 4.8281 90 90 90 Pnma |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg1 0 0 0 .88 .0072 .0061 .0056 -.0006 -.0008 -.0016 |
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Fe1 0 0 0 .12 .0072 .0061 .0056 -.0006 -.0008 -.0016 |
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Ca2 .27684 .25 -.02255 .0059 .0063 .0071 0 .0003 0 |
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Si .08156 .25 .41098 .0062 .0056 .0043 0 .0002 0 |
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O1 .07767 .25 -.2543 .0099 .0101 .0047 0 -.0003 0 |
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O2 .44901 .25 .2460 .0059 .0092 .0069 0 -.0001 0 |
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O3 .14753 .0457 .2733 .0081 .0068 .0075 .0013 .0004 .0002 |
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View JMOL 3-D Structure (permalink) |
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