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Hodgesmithite |
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Elliott P |
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Acta Crystallographica B75 (2019) 1069-1075 |
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Hodgesmithite, (Cu,Zn)6Zn(SO4)2(OH)10*3H2O, a new copper zinc sulfate mineral |
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with a unique, decorated, interrupted-sheet structure |
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Locality: Broken Hill, New South Wales, Australia |
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_database_code_amcsd 0021214 |
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8.1905 8.1905 7.0990 90 90 120 P3 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 .37307 .46800 .21533 .968 .0123 .0095 .0088 .0182 .0043 -.0001 -.00019 |
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Cu2 .24679 .05639 .21189 .952 .0118 .0101 .0084 .0163 .0042 -.0001 .0005 |
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Zn 2/3 1/3 .97881 .0116 .0091 .0091 .0166 .0046 .000 .000 |
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S1 2/3 1/3 .4807 .0169 .0149 .0149 .0207 .0075 .000 .000 |
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S2 0 0 .7911 .0128 .0123 .0123 .0138 .0062 .000 .000 |
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O1 .5184 .1423 .4149 .0287 .026 .031 .032 .016 .000 .003 |
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O2 2/3 1/3 .6953 .027 .028 .028 .025 .0140 .000 .000 |
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O3 .1797 .1608 .7238 .0201 .0172 .0183 .0211 .0061 .0013 .0019 |
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O4 0 0 .0006 .0153 .018 .018 .010 .0089 .000 .000 |
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O-H1 .4134 .2817 .0521 .0159 .0111 .0135 .023 .0060 .0020 .0027 |
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O-H2 .1119 .4249 .0872 .0167 .0166 .0137 .020 .0079 .0013 .0009 |
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O-H3 .1772 .2276 .3403 .0155 .0110 .018 .018 .0074 -.0004 -.0010 |
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O-H4 1/3 2/3 .3540 .0180 .017 .017 .020 .0086 .000 .000 |
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Wat .1111 .5056 .7158 .0345 .022 .037 .028 .003 -.0011 .002 |
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H1 .349 .256 -.062 .050 |
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H2 .123 .443 -.039 .050 |
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H3 .183 .201 .458 .050 |
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H4 1/3 2/3 .488 .050 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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