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Jordanite |
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Ito T, Nowacki W |
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Zeitschrift fur Kristallographie 139 (1974) 161-185 |
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The crystal structure of jordanite, Pb28As12S46 |
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Locality: Binnatal, Switzerland |
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_database_code_amcsd 0010762 |
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8.918 31.899 8.462 90 117.79 90 P2_1/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .4469 .05466 .3504 1.65 .0203 .0191 .0215 .0032 .0082 .0012 |
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Pb2 .4392 .05194 .8422 .5 2.01 .0129 .0469 .0153 -.0070 .0054 -.0111 |
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As2 .4392 .05194 .8422 .5 2.01 .0129 .0469 .0153 -.0070 .0054 -.0111 |
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Pb3 .9040 .04119 .3167 1.65 .0143 .0232 .0206 .0020 .0043 .0007 |
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As4 .9194 .05256 .8299 .85 .0068 .0093 .0141 -.0004 .0030 -.0028 |
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Pb5 .2648 .14226 -.0028 2.10 .0197 .0361 .0219 .0074 .0079 .0063 |
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As6 .2758 .14284 .5082 1.54 .0158 .018 .019 .0024 .0039 .0033 |
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Pb7 .7904 .15071 .0176 1.54 .0192 .0191 .0190 .0003 .0080 .0002 |
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Pb8 .7925 .15021 .5149 1.38 .0180 .0165 .0162 -.0001 .0065 -.0001 |
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Pb9 .1222 .25 .1714 1.88 .0225 .0258 .0208 0 .0080 0 |
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Pb10 .1215 .25 .6896 1.83 .0233 .0237 .0232 0 .0114 0 |
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As11 .6158 .2265 .1766 .5 1.25 .015 .007 .022 .001 .005 .000 |
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Pb12 .5504 .25 .6395 .88 2.55 .0404 .016 .0388 0 .0172 0 |
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S1 .3095 .0031 .0123 1.34 .003 .022 .018 .001 -.002 -.011 |
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S2 .3067 .0051 .5504 1.22 .010 .011 .029 .002 .012 .007 |
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S3 .0460 .0862 .1005 .89 .007 .012 .009 -.004 -.002 -.001 |
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S4 .0511 .0853 .6864 .88 .009 .011 .018 .001 .009 .001 |
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S5 .6520 .0969 .2028 1.04 .010 .016 .008 -.007 -.001 -.001 |
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S6 .6733 .0910 .7073 .87 .009 .009 .016 .002 .006 .002 |
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S7 .4061 .1767 .3744 1.71 .007 .037 .022 .005 .008 .001 |
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S8 .4021 .1774 .7699 1.38 .021 .017 .011 .005 .005 .005 |
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S9 .0307 .1791 .3838 .86 .002 .016 .013 .000 .002 .005 |
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S10 .9940 .1935 .8688 .92 .016 .008 .015 -.001 .011 -.004 |
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S11 .3783 .2617 .055 .5 .79 .006 .006 .015 -.004 .002 .002 |
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S12 .7520 .25 .032 1.79 .007 .038 .023 0 .007 0 |
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S13 .7521 .25 .455 1.56 .013 .017 .026 0 .006 0 |
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View JMOL 3-D Structure (permalink)
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