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Bredigite |
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Moore P B, Araki T |
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American Mineralogist 61 (1976) 74-87 |
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The crystal structure of bredigite and the genealogy of some alkaline earth |
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orthosilicates |
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_database_code_amcsd 0000494 |
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10.909 18.340 6.739 90 90 90 P2nn |
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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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Ca1 0 0 0 .707 .00488 .00123 .00502 0 0 .00068 |
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Ba 0 0 0 .293 .00488 .00123 .00502 0 0 .00068 |
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Ca2 .5016 0 0 .00537 .00064 .00518 0 0 -.00031 |
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Ca3 .2362 .2284 -.0003 .00147 .00049 .00412 .0004 -.00030 -.00027 |
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Ca4 .7728 .2272 .0056 .00181 .00100 .00527 .0001 -.00085 .00000 |
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Ca5 .2564 .4103 .1540 .88 .00272 .00110 .00650 -.00041 -.00021 .00093 |
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Mg3 .2564 .4103 .1540 .12 .00272 .00110 .00650 -.00041 -.00021 .00093 |
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Ca6 .7556 .4119 .1614 .00298 .00067 .00334 -.00073 -.00138 -.00074 |
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Ca7 .0081 .1722 .3310 .00308 .00092 .00584 -.00052 .0002 -.00040 |
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Ca8 .5061 .1654 .3008 .00213 .00162 .00550 -.0007 .0009 .00039 |
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Mg1 -.0003 .5 0 .64 .00124 .00059 .00456 0 0 .00030 |
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Mn1 -.0003 .5 0 .36 .00124 .00059 .00456 0 0 .00030 |
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Mg2 .5002 .5 0 .93 .00075 .00036 .00228 0 0 -.00007 |
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Mn2 .5002 .5 0 .07 .00075 .00036 .00228 0 0 -.00007 |
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Si1 .7542 .0811 .2188 1.0 |
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Si2 .2594 .0798 .2199 0.7 |
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Si3 .0037 .1649 -.2341 0.8 |
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Si4 .0043 .3364 .2831 0.8 |
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O1 .6388 .0259 .2695 2.4 |
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O2 .8681 .0495 .3444 1.5 |
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O3 .7196 .1605 .3054 1.1 |
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O4 .7885 .0883 -.0081 2.1 |
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O5 .1285 .0609 .3311 2.2 |
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O6 .3626 .0241 .2900 0.9 |
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O7 .2923 .1592 .3233 1.7 |
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O8 .2294 .0913 -.0103 1.1 |
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O9 -.1130 .1991 -.3463 4.6 |
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O10 .1249 .1985 -.3393 0.3 |
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O11 -.0042 .0796 -.2794 2.1 |
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O12 .0057 .1912 -.0110 2.2 |
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O13 -.1219 .2900 .25 0.6 |
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O14 .1198 .2850 .2699 2.0 |
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O15 .0127 .3969 .1015 1.3 |
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O16 -.0006 .3760 .4934 1.2 |
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