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Reinhardbraunsite |
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Kirfel A, Hamm H M, Will G |
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Tschermaks Mineralogische und Petrographische Mitteilungen 31 (1983) 137-150 |
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The crystal structure of reinhardbraunsite, Ca5(SiO4)2(OH,F)2, a new mineral |
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of the calcio-chondrodite type |
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Locality: synthetic |
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_database_code_amcsd 0015696 |
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11.458 5.052 8.840 90 108.91 90 P2_1/a |
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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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Cal .5 0 .5 .59 .00131 .00515 .00190 0 .00014 0 |
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Ca2 .16945 .00424 .30907 .53 .00108 .00569 .00194 .00040 .00055 .00026 |
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Ca3 .38147 .00820 .07791 .57 .00138 .00595 .00165 -.00007 .00052 .00023 |
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Si .35374 .57477 .29738 .98 .42 .00102 .00350 .00147 -.00008 .00036 -.00015 |
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P .35374 .57477 .29738 .02 .42 .00102 .00350 .00147 -.00008 .00036 -.00015 |
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O1 .48484 .70353 .29287 .41 .00114 .00712 .00276 -.00031 .00075 -.00046 |
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O2 .24725 .70627 .14380 .43 .00135 .00734 .00209 .00040 .00031 .00073 |
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O3 .33012 .70479 .45571 .64 .00164 .00596 .00217 .00004 .00077 .00024 |
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O4 .35234 .25310 .29631 .44 .00166 .00552 .00286 .00092 .00074 .00048 |
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F .05421 .25319 .09575 .485 .35 .00263 .01811 .00548 .00238 .00149 .00591 |
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O5 .05421 .25319 .09575 .63 .43 .00171 .01503 .00490 .00142 .00151 .00532 |
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H .021 .169 .042 .63 .43 .00171 .01503 .00490 .00142 .00151 .00532 |
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