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Kaliborite |
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Burns P C, Hawthorne F C |
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The Canadian Mineralogist 32 (1994) 885-894 |
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Kaliborite: An example of a crystallographically symmetrical |
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hydrogen bond |
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18.572 8.466 14.689 90 100.02 90 C2/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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K 0 .1187 .25 .0241 .0292 .0254 0 .0050 0 |
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Mg .13784 .4234 .16721 .0087 .0090 .0104 -.0007 -.0008 -.0002 |
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B1 .5005 .1473 .1077 .0089 .0130 .0093 -.0009 -.0006 -.0019 |
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B2 .0691 .8378 .0255 .0127 .0161 .0130 -.0020 -.0003 -.0006 |
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B3 .1109 .7955 .1964 .0100 .0087 .0094 0 .0014 -.0009 |
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B4 .2628 .2025 .2546 .0116 .0099 .0103 .0012 .0013 -.0004 |
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B5 .3047 .4591 .1928 .0079 .0082 .0097 -.0016 -.0006 .0007 |
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B6 .2399 .4974 .0236 .0150 .0253 .0106 -.0014 -.0008 .0006 |
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H1 0 .257 .75 .0564 |
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H2 .408 .235 .130 .0564 |
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H3 .383 .546 .067 .0564 |
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H4 .003 .422 .068 .0564 |
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H5 .207 .939 .076 .0564 |
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H6 .146 .439 -.020 .0564 |
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H7 .120 .101 .123 .0564 |
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H8 .077 .196 .057 .0564 |
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H9 .404 .964 .172 .0564 |
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H10 .341 .851 .173 .0564 |
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O1 .0134 .7310 .0241 .0167 .0177 .0103 -.0058 -.0006 .0007 |
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Oh2 .0361 .7340 .1889 .0090 .0151 .0088 -.0032 .0004 -.0028 |
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O3 .1171 .8722 .1054 .0123 .0151 .0110 -.0038 .0005 .0019 |
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O4 .37643 .3994 .2268 .0087 .0107 .0136 .0011 -.0001 .0035 |
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O5 .1658 .6612 .2086 .0091 .0082 .0159 .0012 -.0021 -.0018 |
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O6 .2946 .6096 .2380 .0115 .0114 .0281 .0002 -.0016 -.0069 |
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O7 .2466 .3461 .2104 .0097 .0091 .0157 .0003 .0004 .0025 |
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O8 .2991 .4863 .0914 .0119 .0278 .0114 -.0030 -.0023 .0063 |
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Oh9 .4214 .1352 .1073 .0084 .0182 .0159 -.0020 -.0008 -.0028 |
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Oh10 .4278 .5920 .0568 .0251 .0403 .0137 -.0146 -.0019 .0098 |
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Oh11 .0321 .4888 .1126 .0132 .0114 .0188 .0010 -.0036 -.0030 |
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Oh12 .2557 .9580 .0647 .0162 .0676 .0131 -.0043 -.0005 .0120 |
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Oh13 .1710 .4636 .0411 .0123 .0348 .0117 -.0046 -.0016 .0011 |
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OW14 .0988 .2048 .1204 .0244 .0119 .0278 .0017 -.0096 -.0017 |
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OW15 .3892 .8757 .2046 .0228 .0203 .0181 -.0046 .0033 -.0015 |
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