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Murataite-(Y) |
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Ercit T S, Hawthorne F C |
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The Canadian Mineralogist 33 (1995) 1223-1229 |
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Murataite, a UB12 derivative structure with condensed Keggin molecules |
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_database_code_amcsd 0005476 |
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14.886 14.886 14.886 90 90 90 F-43m |
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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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YX .1812 0 0 .37 .0064 .0079 .0079 0 0 .0011 |
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DyX .1812 0 0 .05 .0064 .0079 .0079 0 0 .0011 |
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HoX .1812 0 0 .02 .0064 .0079 .0079 0 0 .0011 |
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ErX .1812 0 0 .05 .0064 .0079 .0079 0 0 .0011 |
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TmX .1812 0 0 .01 .0064 .0079 .0079 0 0 .0011 |
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YbX .1812 0 0 .05 .0064 .0079 .0079 0 0 .0011 |
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LuX .1812 0 0 .01 .0064 .0079 .0079 0 0 .0011 |
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NaX .1812 0 0 .35 .0064 .0079 .0079 0 0 .0011 |
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CaX .1812 0 0 .06 .0064 .0079 .0079 0 0 .0011 |
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MnX .1812 0 0 .03 .0064 .0079 .0079 0 0 .0011 |
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TiM1 .1629 .1629 .5087 .76 .0072 .0072 .0095 -.0001 -.0014 -.0014 |
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NbM1 .1629 .1629 .5087 .13 .0072 .0072 .0095 -.0001 -.0014 -.0014 |
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NaM1 .1629 .1629 .5087 .11 .0072 .0072 .0095 -.0001 -.0014 -.0014 |
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ZnM2 -.1722 -.1722 -.1722 .48 .0065 .0065 .0065 .0020 .0020 .0020 |
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FeM2 -.1722 -.1722 -.1722 .25 .0065 .0065 .0065 .0020 .0020 .0020 |
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NaM2 -.1722 -.1722 -.1722 .16 .0065 .0065 .0065 .0020 .0020 .0020 |
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TiM2 -.1722 -.1722 -.1722 .11 .0065 .0065 .0065 .0020 .0020 .0020 |
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ZnT .5 .5 .5 .89 .0135 |
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SiT .5 .5 .5 .11 .0135 |
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O1 .2976 .0729 .0729 .0085 |
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O2 .3962 .3962 .742 .82 .0100 |
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O3 .5738 .5738 .5738 .0056 |
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O4 .25 .25 .767 1/12 .0100 |
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O5 .015 .25 .25 .70 .0132 |
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F5 .015 .25 .25 .30 .0132 |
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O6 -.079 -.079 -.079 .45 .0116 |
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F6 -.079 -.079 -.079 .55 .0116 |
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F .106 .106 .085 1/3 .0100 |
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View JMOL 3-D Structure (permalink)
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