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Pararobertsite |
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Kampf A R |
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American Mineralogist 85 (2000) 1302-1306 |
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The crystal structure of pararobertsite and its relationship to mitridatite |
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8.814 13.233 11.056 90 101.184 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 0 0 0 .0074 .0112 .0055 -.0028 .0019 .0012 |
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Mn2 0 0 .5 .0108 .0062 .0049 .0013 .0028 .0003 |
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Mn3 .0130 .1311 .2380 .0086 .0081 .0054 .0003 .0016 .0012 |
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Mn4 .0140 .2319 .4932 .0069 .0082 .0054 -.0013 .0008 -.0007 |
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Ca1 .3384 .3707 .5725 .0084 .0137 .0214 -.0003 .0031 -.0008 |
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Ca2 .6674 .1232 .3595 .0106 .0130 .0123 -.0015 .0002 .0000 |
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P1 .2968 .1104 .4457 .0103 .0071 .0077 -.0009 .0024 .0015 |
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P2 .0845 .1189 .7757 .0112 .0085 .0100 -.0002 .0023 -.0015 |
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P3 .7281 .1407 .0292 .0063 .0090 .0067 -.0010 .0018 -.0007 |
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O1 .4696 .1112 .4660 .0128 .0183 .0092 .0005 .0007 .0035 |
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O2 .2361 .2038 .5065 .0062 .0101 .0079 .0022 .0015 -.0017 |
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O3 .2344 .0125 .4985 .0150 .0041 .0141 -.0038 .0041 .0006 |
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O4 .2280 .1135 .3039 .0109 .0173 .0058 -.0012 .0000 .0022 |
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O5 .2558 .1180 .8283 .0104 .0143 .0240 .0010 .0030 -.0018 |
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O6 .0089 .2162 .8103 .0136 .0114 .0130 .0038 .0077 .0004 |
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O7 .0349 .1083 .6354 .0146 .0118 .0074 -.0025 .0027 .0012 |
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O8 .0021 .0302 .8293 .0124 .0070 .0124 .0002 .0031 .0016 |
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O9 .5574 .1429 .0003 .0091 .0196 .0106 -.0041 .0043 -.0008 |
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O10 .7949 .2359 .9754 .0076 .0092 .0105 -.0013 .0037 .0029 |
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O11 .7912 .1399 .1709 .0096 .0134 .0044 .0024 -.0002 -.0017 |
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O12 .7866 .0429 .9729 .0066 .0158 .0086 -.0038 .0004 -.0071 |
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O13 .9532 .1111 .3952 .0087 .0056 .0072 .0032 .0026 -.0014 |
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O14 .0678 .1490 .0797 .0060 .0148 .0078 .0031 -.0004 .0024 |
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O15 .5175 .0124 .2143 .0220 .0102 .0198 -.0002 .0029 .0049 |
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O16 .4783 .2372 .2383 .0134 .0172 .0208 .0010 .0013 -.0016 |
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O17 .6702 .3843 .1964 .0462 .0143 .0217 -.0027 .0172 .0037 |
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H1 .4311 .9791 .2406 .0005 |
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H2 .6035 .9367 .1929 .0005 |
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H3 .5446 .2719 .2463 .0005 |
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H4 .4150 .2680 .2482 .0005 |
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H5 .7146 .3309 .1885 .0005 |
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H6 .6275 .4330 .1204 .0005 |
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