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CaB8O11(OH)4 |
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Wiggin S B, Weller M T |
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Acta Crystallographica E61 (2005) i243-i245 |
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Redetermination of CaB8O11(OH)4 at low temperature |
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Note: T = 120 K |
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Locality: synthetic |
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_database_code_amcsd 0010461 |
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7.481 8.2693 9.859 90 108.76 90 P2_1 |
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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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Ca .60200 .29083 .27828 .01030 .0114 .0098 .0096 .0003 .00327 -.0004 |
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B1 .1035 .2765 .2720 .0113 .0134 .0077 .0125 .0017 .0038 -.0002 |
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B2 .0908 .2695 .5216 .0114 .0106 .0130 .0108 .0025 .0037 .0016 |
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B3 .3787 .1696 .7189 .0086 .0082 .0079 .0096 -.0014 .0028 -.0012 |
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B4 .4671 .1318 .9806 .0095 .0081 .0114 .0081 .0012 .0015 .0006 |
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B5 .5905 .3827 .9050 .0092 .0096 .0100 .0077 -.0015 .0025 -.0010 |
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B6 .8931 .3814 .8517 .0121 .0111 .0117 .0125 -.0002 .0024 -.0006 |
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B7 .5944 .3830 .6449 .0087 .0104 .0091 .0061 -.0001 .0017 -.0018 |
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B8 .4913 .1220 .5148 .0099 .0073 .0107 .0105 .0027 .0010 .0022 |
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O1 .2331 .3060 .20108 .0141 .0138 .0197 .0082 .0015 .0025 .0029 |
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O2 -.0882 .2699 .2085 .0166 .0120 .0257 .0108 .0016 .0021 .0009 |
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O3 .1776 .2518 .41723 .0137 .0088 .0214 .0105 .0030 .0027 .0016 |
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O4 -.0921 .3203 .48254 .0202 .0140 .0376 .0091 .0075 .0039 .0012 |
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O5 .1892 .2394 .66179 .0116 .0101 .0132 .0120 .0016 .0039 .0000 |
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O6 .3931 .0722 .84528 .0105 .0125 .0101 .0089 -.0027 .0035 -.0001 |
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O7 .5296 .2872 .00614 .0102 .0130 .0085 .0094 .0003 .0040 -.0004 |
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O8 .5214 .3078 .75752 .0092 .0136 .0068 .0076 -.0032 .0037 -.0010 |
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O9 .4256 .0600 .61924 .0094 .0113 .0088 .0086 -.0010 .0038 -.0001 |
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O10 .5179 .5466 .89685 .0108 .0139 .0093 .0087 .0015 .0029 .0003 |
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O11 .7977 .3809 .94971 .0124 .0119 .0159 .0089 .0013 .0026 .0003 |
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O12 .8015 .4038 .70949 .0117 .0114 .0120 .0115 .0001 .0035 .0013 |
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O13 .5652 .2750 .52450 .0101 .0112 .0093 .0099 -.0012 .0038 -.0022 |
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O14 .0848 .3566 .9032 .0190 .0095 .0366 .0108 .0043 .0030 .0018 |
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O15 .4999 .0372 .39748 .0107 .0123 .0107 .0082 -.0013 .0017 -.0013 |
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H1 .191 .320 .109 .029 |
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H2 -.120 .300 .119 .047 |
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H4 -.127 .337 .560 .061 |
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H14 .130 .314 .827 .054 |
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