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CaAl4Si2O11 |
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Gautron L, Angel R J, Miletich R |
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Physics and Chemistry of Minerals 27 (1999) 47-51 |
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Structural characterisation of the high-pressure phase CaAl4Si2O11 |
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Note: Biso values altered to agree with the anisotropic values, as indicated |
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by Ross Angel, March 2004 |
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_database_code_amcsd 0008275 |
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5.4223 5.4223 12.7041 90 90 120 P6_3/mmc |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca 1/3 2/3 1/4 1.26 .0127 .0127 .00239 .00635 0 0 |
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AlT 2/3 1/3 .2250 .5 .91 .0070 .0070 .0023 .0035 0 0 |
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SiM1 1/2 1/2 0 2/3 .79 .0086 .0086 .00134 .0043 -.00009 .00009 |
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AlM1 1/2 1/2 0 1/3 .79 .0086 .0086 .00134 .0043 -.00009 .00009 |
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AlM2 0 0 .14371 .71 .0083 .0083 .00101 .00415 0 0 |
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O1 2/3 1/3 .0778 .88 .0094 .0094 .0015 .0047 0 0 |
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O2 .8443 1.6886 1/4 1.18 .0145 .0136 .00162 .0068 0 0 |
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O3 .8242 1.6484 .57888 .92 .0114 .0086 .0014 .0043 .0001 .0002 |
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