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Hungchaoite |
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Wan C, Ghose S |
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American Mineralogist 62 (1977) 1135-1143 |
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Hungchaoite, Mg(H2O)5B4O5(OH)4.2H2O: a hydrogen-bonded molecular complex |
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_database_code_amcsd 0000603 |
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8.807 10.657 7.897 103.39 108.53 97.18 P-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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Mg .82907 .22643 .13238 .0165 .0193 .0181 .0028 .0035 .0067 |
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B1 .1812 .3017 .4835 .0133 .0151 .0151 .0019 .0035 .0060 |
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B2 .2242 .0830 .5269 .0200 .0172 .0179 .0053 .0053 .0061 |
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B3 .2786 .2761 .7926 .0152 .0161 .0137 .0027 .0048 .0048 |
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B4 .4629 .4094 .6887 .0138 .0171 .0153 .0021 .0053 .0043 |
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O1 .1915 .1614 .4106 .0207 .0159 .0144 .0045 .0050 .0060 |
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O2 .2731 .1322 .7163 .0236 .0148 .0149 .0042 .0049 .0055 |
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O3 .4437 .3536 .8219 .0127 .0231 .0149 .0001 .0025 .0067 |
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O4 .3412 .3893 .5202 .0138 .0218 .0145 .0016 .0027 .0077 |
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O5 .1545 .3188 .6596 .0124 .0180 .0152 .0043 .0052 .0064 |
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Oh1 .0509 .3305 .3391 .0151 .0162 .0186 .0014 .0000 .0080 |
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Oh2 .2054 .9517 .4428 .0595 .0163 .0194 .0091 .0082 .0055 |
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Oh3 .2539 .2893 .9977 .0225 .0203 .0136 .0005 .0079 .0040 |
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Oh4 .6132 .4891 .7326 .0163 .0279 .0158 .0056 .0037 .0080 |
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OW1 .6108 .1148 .9272 .0183 .0251 .0304 .0054 .0019 .0025 |
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OW2 .8876 .0453 .1425 .0198 .0211 .0311 .0028 .0040 .0104 |
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OW3 .7246 .2192 .3387 .0204 .0269 .0236 .0029 .0072 .0066 |
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OW4 .7415 .3950 .1071 .0274 .0221 .0311 .0093 .0044 .0052 |
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OW5 .9268 .2267 .9257 .0237 .0336 .0199 .0012 .0090 .0035 |
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OW6 .3975 .1503 .2039 .0226 .0298 .0260 .0080 .0112 .0093 |
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OW7 .8919 .4104 .6640 .0252 .0255 .0359 .0105 .0143 .0110 |
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H1 .077 .413 .346 .053 |
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H2 .227 .907 .510 .063 |
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H3 .293 .366 .049 .055 |
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H4 .619 .520 .651 .040 |
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H5 .518 .127 .866 .049 |
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H6 .609 .028 .877 .065 |
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H7 .838 .987 .178 .064 |
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H8 .994 .059 .208 .057 |
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H9 .617 .211 .300 .058 |
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H10 .762 .291 .432 .062 |
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H11 .776 .475 .180 .065 |
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H12 .649 .390 .023 .036 |
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H13 .030 .25 .947 .058 |
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H14 .883 .169 .823 .059 |
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H15 .340 .156 .268 .050 |
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H16 .357 .192 .133 .064 |
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H17 .975 .379 .665 .060 |
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H18 .858 .403 .755 .050 |
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