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Allochalcoselite |
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Krivovichev S V, Filatov S K, Burns P C, Vergasova L P |
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The Canadian Mineralogist 44 (2006) 507-514 |
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The crystal structure of allochalcoselite, Cu+Cu2+5PbO2(SeO3)2Cl5, |
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a mineral with well-defined Cu+ and Cu2+ positions |
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Locality: fumaroles of the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia |
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_database_code_amcsd 0006091 |
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18.468 6.1475 15.314 90 119.284 90 C2/m |
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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 .98610 .2462 .74348 .0136 .0094 .0166 .0155 -.0019 .0067 -.0042 |
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Cu2 .93169 0 .5343 .0196 .0094 .0437 .0070 0 .0050 0 |
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Cu3 .93998 .5 .0455 .0153 .0084 .0296 .0075 0 .0035 0 |
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Cu4 .64740 0 .8306 .0197 .0145 .0284 .0222 0 .0137 0 |
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Cu5 .5 0 .5 .0291 .024 .032 .032 0 .015 0 |
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Cu6 0 0 0 .0427 .064 .038 .042 0 .038 0 |
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Pb .79657 0 .63877 .0152 .0089 .0217 .0134 0 .0042 0 |
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Se1 .12845 0 .70903 .0113 .0053 .0192 .0093 0 .0034 0 |
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Se2 .85671 .5 .79940 .0118 .0071 .0189 .0100 0 .0047 0 |
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O1 .8829 .7134 .7511 .016 .014 .023 .013 .000 .008 .001 |
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O2 .0946 .2154 .7468 .022 .016 .027 .028 -.004 .015 -.009 |
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O3 .9401 .5 .9184 .016 .012 .031 .003 0 .003 0 |
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O4 .9317 0 .6582 .011 .009 .015 .013 0 .008 0 |
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O5 .0401 .5 .8211 .012 .002 .024 .005 0 -.001 0 |
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O6 .0551 0 .5867 .026 .014 .056 .001 0 -.002 0 |
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Cl1 .6982 0 .0082 .0222 .008 .041 .012 0 .001 0 |
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Cl2 .5865 0 .4462 .0312 .028 .039 .024 0 .011 0 |
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Cl3 .7886 0 .4388 .0221 .013 .036 .019 0 .008 0 |
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Cl4 .7613 0 .8150 .0275 .017 .044 .026 0 .013 0 |
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Cl5 .0623 0 .9198 .0314 .040 .032 .016 0 .009 0 |
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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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