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Christelite |
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Adiwidjaja G, Friese K, Klaska K H, Schluter J |
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Zeitschrift fur Kristallographie 211 (1996) 518-521 |
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The crystal structure of christelite Zn3Cu2(SO4)2(OH)6*4(H2O) |
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Locality: San Francisco mine, Sierra Gorda, northeast of Antofagasta, Chile |
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Note: anisoU's from ICSD |
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_database_code_amcsd 0011065 |
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5.4143 6.336 10.470 94.32 90.06 90.27 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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Zn1 0 0 0 .0145 .0140 .0120 .010 -.0010 .0010 .0010 |
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Zn2 .51228 .24973 .49511 .0127 .0090 .0080 .0210 -.0010 .0000 .0020 |
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Cu1 0 0 .5 .0110 .0110 .0110 .0190 .0000 .0010 .0020 |
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Cu2 0 .5 .5 .0116 .0100 .0120 .0210 -.0010 .0000 .0020 |
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S .7771 .7040 .22146 .0126 .0150 .0140 .0110 -.0010 .0010 .0020 |
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O1 .7947 .7289 .3637 .0141 .0150 .0160 .0120 -.0010 .0000 .0020 |
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O2 .5206 .6551 .1854 .0275 .0180 .0480 .0180 -.0060 -.0050 .0080 |
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O3 .9370 .5294 .1729 .0246 .0280 .0210 .025 .0050 .0040 -.0060 |
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O4 .8590 .9034 .1722 .0269 .0460 .019 .0180 -.0050 .0120 .0070 |
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O5 .6807 .0026 .5889 .0114 .0110 .0120 .0120 -.0010 .0000 .0000 |
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O6 .6829 .5153 .5872 .0125 .0110 .0110 .0160 .0000 -.0020 .0030 |
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O7 .1381 .7641 .5888 .0127 .0120 .0120 .0140 -.0010 .0000 .0010 |
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O8 .7246 .2267 .0160 .0172 .0200 .0180 .0140 .0010 -.0020 .0000 |
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O9 .2469 .1890 .1179 .0242 .022 .0240 .026 -.0050 .0010 -.0070 |
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H1 .242 .690 -.056 .05 |
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H2 .344 .731 .052 .05 |
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H3 .217 .312 .146 .05 |
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H4 .410 .195 .098 .05 |
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H5 .123 .772 .666 .05 |
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H6 .687 .006 .677 .05 |
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H7 .697 .517 .680 .05 |
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