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Wooldridgeite |
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Cooper M A, Hawthorne F C |
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The Canadian Mineralogist 37 (1999) 73-81 |
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The crystal structure of wooldridgeite, Na2CaCu2(P2O7)2(H2O)10, |
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a novel copper pyrophosphate mineral |
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_database_code_amcsd 0005593 |
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11.938 32.854 11.017 90 90 90 Fdd2 |
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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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Ca 0 0 0 .015 .015 .017 .014 .003 0 0 |
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Na .2143 .0974 .0959 .049 .064 .062 .022 -.034 .017 -.007 |
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Cu .1201 .13964 .6000 .019 .020 .021 .017 .010 .007 .009 |
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P1 .0457 .1811 .3560 .018 .020 .021 .015 -.004 .004 .000 |
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P2 .1413 .0705 .8009 .017 .018 .018 .017 .000 .003 .003 |
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O1 .1986 .0470 .685 .018 .017 .023 .013 .000 -.003 -.002 |
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O2 .0870 .2128 .268 .021 .019 .026 .018 -.006 -.001 .006 |
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O3 .1374 .1687 .445 .027 .024 .039 .019 .014 .005 .006 |
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O4 .2401 .1045 .544 .031 .034 .035 .025 .023 .017 .016 |
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O5 .0916 .1096 .751 .027 .036 .022 .022 .008 .017 .011 |
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O6 .2355 .0781 .893 .028 .027 .035 .022 -.009 -.002 -.008 |
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O7 .0555 .0412 .847 .022 .025 .025 .017 -.012 .003 -.001 |
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Wat1 .0840 .0437 .158 .024 .019 .027 .025 -.002 .003 -.004 |
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Wat2 .042 .1388 .046 .050 .061 .054 .036 -.008 .011 -.004 |
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Wat3 .129 .2119 .924 .044 .042 .045 .045 .003 -.006 -.014 |
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Wat4 .230 .1869 .710 .072 .059 .108 .049 -.046 .020 -.029 |
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Wat5 .1562 .0125 .376 .035 .028 .038 .038 -.002 -.010 -.004 |
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View JMOL 3-D Structure (permalink)
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