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Pseudojohannite |
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Plasil J, Fejfarova K, Wallwork K S, Dusek M, Skoda R, Sejkora J, Cejka J, |
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Veselovsky F, Hlousek J, Meisser N, Brugger J |
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American Mineralogist 97 (2012) 1796-1803 |
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Crystal structure of pseudojohannite, with a revised formula, |
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Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12 |
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Locality: White Canyon, Utah, USA |
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_database_code_amcsd 0019492 |
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8.6744 8.8692 10.0090 72.105 70.544 76.035 P-1 |
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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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U1 .42802 .34306 .46462 .0077 .0064 .0066 .0105 -.0020 -.0028 -.0013 |
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U2 .09013 .67616 .47194 .0083 .0062 .0064 .0125 -.0023 -.0030 -.0011 |
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Cu1 .5 0 0 .983 .0145 .018 .014 .012 .0011 -.0063 -.0052 |
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Cu2 -.0072 .1684 -.0069 .977 .0167 .0143 .0165 .0161 -.0044 .0003 -.0027 |
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S .7502 .0037 .4954 .0103 .008 .009 .016 -.005 -.004 -.0019 |
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Wat1 .5709 .0786 .1290 .017 .026 .017 .014 -.005 -.010 -.003 |
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O2 .3516 .5917 .4981 .012 |
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OH3 -.1183 -.0130 .1189 .018 .010 .025 .018 -.009 -.001 -.002 |
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Wat4 .2056 .1178 .1158 .024 .023 .025 .022 -.005 -.007 -.003 |
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O5 .1505 .4083 .5051 .010 |
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O6 .4796 .4253 .2692 .016 .021 .013 .011 .002 -.004 -.006 |
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Wat7 .311 .420 .062 .040 .042 .034 .046 -.007 -.022 .000 |
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O8 .3804 .2360 .6585 .014 .015 .014 .011 -.001 -.004 -.004 |
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Wat9 .4754 -.2140 .1374 .019 .021 .016 .018 .002 -.004 -.011 |
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Wat10 -.160 .321 .1013 .031 .033 .028 .024 -.012 .005 -.004 |
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O11 .1621 .7036 .2755 .016 .017 .015 .016 -.005 -.004 .000 |
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O12 .6657 .1326 .3982 .016 |
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Wat13 .1013 .3492 -.1471 .024 .023 .020 .025 -.004 -.001 -.005 |
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O14 .0156 .6725 .6640 .019 .013 .025 .017 -.005 -.002 .000 |
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O15 .7932 .0726 .5931 .015 |
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O16 .6428 -.1150 .5913 .013 |
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O17 .8984 -.0764 .4047 .014 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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