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Spangolite |
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Hawthorne F C, Kimata M, Eby R K |
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American Mineralogist 78 (1993) 649-652 |
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The crystal structure of spangolite, a complex copper sulfate sheet mineral |
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_database_code_amcsd 0001585 |
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8.254 8.254 14.354 90 90 120 P31c |
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atom x y z occ Uiso |
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Cu1 .0915 .4649 0 .0147 |
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Cu2 .7979 .0405 -.0132 .0137 |
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S 0 0 -.2246 .0283 |
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Cl 1/3 2/3 .1495 .0346 |
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Al 2/3 1/3 -.0143 .0122 |
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O1 .1835 .0346 -.2593 .0570 |
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O2 0 0 -.1217 .0212 |
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Oh3 .8086 .2492 -.0830 .0150 |
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Oh4 .5283 .4121 .0584 .0143 |
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Oh5 .2962 .4517 -.0618 .0158 |
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Oh6 .0364 .2176 .0484 .0140 |
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OH7A .552 .0071 .255 .5 .0471 |
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OH7B .644 .0970 .250 .5 .0471 |
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H3 .81 .25 .85 .012 |
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H4 .53 .41 .13 .012 |
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H5 .30 .45 .87 .012 |
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H6 .04 .22 .12 .012 |
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Antlerite |
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Hawthorne F C, Groat L A, Eby R K |
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The Canadian Mineralogist 27 (1989) 205-209 |
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Antlerite, Cu3SO4(OH)4, a heteropolyhedral wallpaper structure |
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Locality: Torre Capdulla, Lerida, Italy |
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_database_code_amcsd 0005229 |
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8.244 6.043 11.987 90 90 90 Pnma |
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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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Cu1 .0049 .25 .00135 .0145 .0081 .0137 0 -.0033 0 |
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Cu2 .28982 .00278 .12585 .0126 .0097 .0146 -.0001 -.0020 .0012 |
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S .1304 .25 .3642 .0109 .0100 .0108 0 .0003 0 |
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O1 .2618 .25 .2829 .0145 .0154 .0209 0 .0022 0 |
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O2 .1979 .25 .4778 .0216 .0144 .0143 0 -.0060 0 |
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O3 .0312 .0481 .3477 .0137 .0120 .0218 -.0015 .0015 -.0024 |
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Oh1 .2809 .25 .0250 .0150 .0111 .0137 0 .0004 0 |
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Oh2 .7010 .25 .7792 .0130 .0114 .0142 0 -.0006 0 |
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Oh3 .0469 .5060 .1016 .0141 .0129 .0110 .0018 .0010 -.0012 |
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H1 .373 .25 .971 .01 |
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H2 .220 .75 .261 .01 |
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H3 .497 .025 .660 .01 |
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Euchroite |
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Eby R K, Hawthorne F C |
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Acta Crystallographica C45 (1989) 1479-1482 |
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Euchroite, a heteropolyhedral framework structure |
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Locality: Coller cliff, Montana, USA |
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_database_code_amcsd 0018354 |
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10.506 10.506 6.103 90 90 90 P2_12_12_1 |
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atom x y z Uiso |
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Cu1 .75610 .99123 .0313 .166 |
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Cu2 .80047 .75076 .3333 .180 |
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As .60936 .76411 .7824 .151 |
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O1 .6732 .8303 .5455 .180 |
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O2 .6969 .8146 .9976 .196 |
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O3 .4527 .8183 .8157 .176 |
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O4 .6118 .6063 .7508 .190 |
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OH .8473 .9326 .2930 .163 |
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Wat1 .7212 .5816 .3618 .217 |
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Wat2 .5710 .0547 .2785 .274 |
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Wat3 .9321 .6894 .7223 .314 |
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Clinoclase |
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Eby R K, Hawthorne F C |
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Acta Crystallographica C46 (1990) 2291-2294 |
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Clinoclase and the geometry of [5]-coordinate Cu2+ in minerals |
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_database_code_amcsd 0010215 |
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7.257 6.457 12.378 90 99.51 90 P2_1/c |
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atom x y z Uiso |
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Cu1 .7877 .1400 .3294 .0177 |
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Cu2 .8153 .3813 .1274 .0169 |
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Cu3 .3869 .3531 .4126 .0183 |
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As .3087 .1499 .1796 .0142 |
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O1 .4149 .0710 .0738 .0177 |
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O2 .8377 -.1577 .3652 .0183 |
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O3 .1798 -.0531 .2130 .0163 |
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O4 .4711 .2205 .2854 .0194 |
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OH1 .7799 .2034 .4780 .0248 |
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OH2 .8088 .0943 .1773 .0174 |
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OH3 .1808 .1670 .4106 .0210 |
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Liroconite |
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Burns P C, Eby R K, Hawthorne F C |
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Acta Crystallographica C47 (1991) 916-919 |
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Refinement of the structure of liroconite, |
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a heteropolyhedral framework oxysalt mineral |
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Locality: Roughton Gill, England |
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_database_code_amcsd 0010249 |
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12.664 7.563 9.914 90 91.32 90 I2/a |
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atom x y z Uiso |
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Cu .13090 .22187 .27026 .0137 |
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Al 0 0 0 .0111 |
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As .25 .04570 0 .0095 |
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O1 .8558 .0801 .0063 .0197 |
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O2 .2457 .1734 .1380 .0197 |
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OH1 .0244 .0959 .1736 .0227 |
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OH2 .0410 .2238 .9229 .0190 |
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Wat1 .6843 .1195 .3405 .0473 |
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Wat2 .1104 .4922 .1206 .0334 |
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Cornetite |
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Eby R K, Hawthorne F C |
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Mineralogy and Petrology 40 (1989) 127-136 |
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Cornetite: modulated densely-packed Cu2+ oxysalt |
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Locality: Mine de L'Etoile, Katanga, Zaire |
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_database_code_amcsd 0014624 |
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10.854 14.053 7.086 90 90 90 Pbca |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 .01900 .12739 .1876 .0102 .0166 .0112 .0010 -.0007 -.0029 |
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Cu2 .19409 .24645 .40293 .0115 .0158 .0110 -.0008 .0014 -.0038 |
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Cu3 .10041 .45217 .1092 .0095 .0128 .0140 -.0022 .0000 .0008 |
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P .3800 .3864 .2070 .0095 .0149 .0098 -.0009 .0006 -.0008 |
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O1 .2690 .4101 .0857 .0079 .0243 .0165 -.0011 -.0010 .0017 |
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O2 .9211 .4726 .1754 .0121 .0127 .0152 .0033 -.0006 .0008 |
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O3 .4896 .3596 .0812 .0103 .0249 .0131 .0013 .0027 .0019 |
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O4 .3499 .3034 .3415 .0157 .0173 .0115 .0013 -.0005 -.0052 |
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OH1 .0564 .3390 .9551 .0110 .0110 .0100 -.0022 .0004 .0017 |
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OH2 .1822 .1876 .1470 .0139 .0145 .0095 .0005 -.0023 -.0021 |
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OH3 .1343 .5679 .2450 .0118 .0131 .0148 -.0035 .0010 .0020 |
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Lindgrenite |
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Hawthorne F C, Eby R K |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1985 (1985) 234-240 |
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Refinement of the crystal structure of lindgrenite |
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Locality: Chuquicamata, Chile |
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_database_code_amcsd 0014795 |
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5.394 14.023 5.608 90 98.50 90 P2_1/n |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 0 0 0 .99 .0118 .0089 .0090 -.0020 .0018 .0014 |
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Cu2 .8638 .09393 .4870 1.05 .0117 .0075 .0132 .0016 .0048 .0012 |
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Mo .45592 .15456 .87716 .86 .0092 .0065 .0103 .0000 .0020 -.0008 |
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O1 .9801 .2234 .4358 1.9 .0221 .0074 .0280 .0009 .0055 .0037 |
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O2 .6505 .0918 .1009 1.8 .0200 .0178 .0157 .0053 -.0017 -.0014 |
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O3 .5532 .1299 .5938 1.5 .0128 .0180 .0145 .0012 .0065 -.0002 |
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O4 .1448 .1130 .8730 1.4 .0128 .0141 .0150 -.0037 .0030 .0014 |
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O5 .1321 .0306 .3405 1.0 .0131 .0071 .0113 -.0004 .0030 .0001 |
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H5 .27 .048 .35 1.0 |
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