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Volborthite |
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Yoshida H, Yamaura J, Isobe M, Nilsen G J, Hiroi Z |
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Nature Communications 3 (2012) 8601-8605 |
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T = 323 K |
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Locality: synthetic |
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_database_code_amcsd 0019038 |
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10.657 5.887 7.228 90 95.035 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 0 0 0 .0123 .0114 .0076 .0185 0 .0037 0 |
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Cu2 .25 .25 0 .01265 .0127 .0054 .0195 -.0008 -.0008 .0001 |
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V -.00337 .5 .25375 .0168 .0113 .0270 .0122 0 .0023 0 |
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O1 0 .5 .5 .043 .020 .099 .010 0 .004 0 |
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O2 .3422 .5 .1168 .0112 .0125 .0028 .0186 0 .0024 0 |
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O3 .0723 .2699 .1866 .0296 .0197 .0326 .0372 .0057 .0069 .0172 |
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O4 .3416 0 .1524 .0148 .0164 .0078 .0200 0 .0009 0 |
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Wat5 .1758 0 .5205 .0525 .072 .064 .022 0 .004 0 |
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H .3500 .5 .2529 .0134 |
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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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