American Mineralogist Crystal Structure Database

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Gillespite
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Belsky H L, Rossman G R, Prewitt C T, Gasparik T
Download am/vol69/AM69_771.pdf
American Mineralogist 69 (1984) 771-776
Crystal structure and optical spectroscopy (300 to 2200 nm) of CaCrSi4O10
_database_code_amcsd 0000954
7.378 7.378 15.119 90 90 90 P4/ncc
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca        0      0      0 .00307 .00307 .00092       0       0       0
Cr        0     .5 .07951 .00171 .00171 .00127       0       0       0
Si   .25310 .17208 .14801 .00185 .00189 .00084 0.00009 0.00003 -.00006
O1   .20819 .20819    .25 .00809 .00809 .00180 -.00125 0.00068 -.00068
O2   .45499 .24829 .12833 .00168 .00511 .00159 -.00067 -.00015 0.00050
O3   .10627 .25049 .08189 .00262 .00221 .00183 0.00049 -.00059 -.00005
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