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Pellyite |
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Meagher E P |
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American Mineralogist 61 (1976) 67-73 |
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The atomic arrangement of pellyite: Ba2Ca(Fe,Mg)2Si6O17 |
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15.677 7.15 14.209 90 90 90 Cmcm |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba .1374 .3326 .25 .00077 .00480 .00138 -.00054 0 0 |
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Fe .2922 0 0 .74 .00055 .00442 .00042 0 0 .00039 |
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Mg .2922 0 0 .11 .00055 .00442 .00042 0 0 .00039 |
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Mn .2922 0 0 .09 .00055 .00442 .00042 0 0 .00039 |
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Zn .2922 0 0 .06 .00055 .00442 .00042 0 0 .00039 |
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Al1 .3477 .2982 .1413 .05 .00085 .00235 .00058 -.00012 .00026 .00011 |
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Si1 .3477 .2982 .1413 .95 .00085 .00235 .00058 -.00012 .00026 .00011 |
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Si2 0 .0612 .1080 .00061 .00264 .00057 0 0 -.00007 |
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Ca .5 0 0 .00076 .00405 .00086 0 0 -.00320 |
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O1 0 0 0 .00412 .01663 .00037 0 0 .00015 |
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O2 .3853 .1303 .0798 .00113 .00602 .00172 .00075 .00042 -.00082 |
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O3 .0867 -.0264 .1521 .00266 .00663 .00234 .00181 -.00134 -.00156 |
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O4 .2559 .3690 .1079 .00184 .01004 .00168 .00092 .00020 .00199 |
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O5 .3330 .2189 .25 .00187 .00465 .00168 -.00030 0 0 |
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O6 0 .2804 .1286 .00130 .00165 .00197 0 0 .00069 |
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