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Steverustite |
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Cooper M A, Hawthorne F C, Moffatt E |
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Mineralogical Magazine 73 (2009) 235-250 |
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Steverustite, Pb5(OH)5[Cu(SO3S)3](H2O)2, a new thiosulphate mineral from the |
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Frongoch mine dump, Devils Bridge, Ceredigion, Wales: description and crystal structure |
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Locality: Frongoch mine dump, Devils Bridge, Ceredigion, Wales |
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_database_code_amcsd 0014592 |
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12.5631 8.8963 18.0132 90 96.459 90 P2_1/n |
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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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Pb1 .65998 .09839 .54396 .02733 .0301 .0261 .0265 -.00422 .00625 .00290 |
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Pb2 .28510 .09642 .21832 .02820 .0325 .0288 .0227 -.00231 .00053 -.00006 |
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Pb3 .85984 .37204 .49493 .03122 .0261 .0307 .0354 -.00299 -.00346 -.00109 |
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Pb4 .57981 .36011 .37496 .02494 .0233 .0250 .0260 .00163 .00082 .00113 |
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Pb5 .78717 .06441 .35321 .03227 .0403 .0320 .0255 .00996 .00810 -.00092 |
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Cu .30114 .28737 .58767 .0267 .0260 .0331 .0211 .0008 .0029 .0006 |
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S6+1 .29060 .2829 .40072 .0204 .0224 .0202 .0178 .0000 -.0013 -.0005 |
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S6+2 .53847 .2457 .69203 .0233 .0194 .0323 .0182 .0000 .0020 -.0017 |
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S6+3 .0825 .3395 .68340 .0276 .0278 .0307 .0258 .0052 .0098 .0055 |
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S2-4 .4014 .2870 .49234 .0244 .0208 .0320 .0196 .0005 -.0009 -.0002 |
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S2-5 .3837 .2972 .70413 .0299 .0208 .0486 .0206 .0018 .0033 -.0003 |
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S2-6 .1226 .2913 .57811 .0308 .0242 .0445 .0234 .0034 .0017 .0012 |
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O1 .3503 .2731 .3351 .0333 .030 .049 .020 -.003 .001 -.013 |
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O2 .2298 .4238 .3982 .0261 .031 .027 .019 .009 .000 -.001 |
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O3 .2210 .1525 .4077 .0351 .032 .033 .036 -.006 -.013 .012 |
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O4 .5760 .3441 .6357 .045 .032 .055 .055 .007 .027 .020 |
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O5 .5442 .0874 .6699 .044 .032 .038 .062 -.002 .011 -.009 |
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O6 .6033 .2677 .7632 .052 .029 .099 .027 .006 -.006 -.023 |
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O7 -.0241 .4031 .6714 .046 .034 .058 .048 .006 .010 -.010 |
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O8 .0841 .1994 .7250 .057 .104 .038 .033 .000 .030 .004 |
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O9 .1602 .4443 .7198 .0371 .042 .047 .022 -.009 .003 .003 |
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Oh10 .6727 .3453 .4968 .0222 .026 .025 .015 .004 .001 -.001 |
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Oh11 .8243 .1101 .4860 .0282 .032 .029 .025 .012 .007 .003 |
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Oh12 .7683 .3260 .3702 .0238 .026 .029 .018 -.004 .007 -.005 |
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Oh13 .6198 .1052 .3920 .0271 .032 .024 .026 -.003 .008 -.004 |
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Oh14 .7839 .2106 .6392 .047 .029 .053 .057 .014 -.008 -.024 |
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Wat15 -.0013 .2895 .3997 .074 .030 .152 .043 .017 .012 .020 |
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Wat16 .4551 .4840 .1400 .67 .071 .053 .043 .109 .007 -.023 -.022 |
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H1 .665 .435 .527 .038 |
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H2 .883 .040 .500 .038 |
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H3 .800 .383 .332 .038 |
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H4 .570 .034 .365 .038 |
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H5 .844 .148 .660 .038 |
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View JMOL 3-D Structure (permalink) |
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