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Curetonite |
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Cooper M A, Hawthorne F C |
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American Mineralogist 79 (1994) 545-549 |
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The crystal structure of curetonite, a complex heteropolyhedral sheet mineral |
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Data has been corrected according to the ICSD |
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6.977 12.564 5.223 90 102.15 90 P2_1/n |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba .31601 .30290 .45914 .0135 .0123 .0219 -.0017 -.0044 .0053 |
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P .3036 .1135 -.0694 .0093 .0073 .0087 -.0004 .0016 -.0008 |
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Al1 0 .5 0 .66 .0211 .0078 .0081 -.0052 .0048 -.0016 |
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Ti 0 .5 0 .34 .0211 .0078 .0081 -.0052 .0048 -.0016 |
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Al2 .5 .5 0 .0092 .0094 .0100 .0012 .0023 .0016 |
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O1 .2105 .2235 -.0701 .0161 .0109 .0167 .0021 .0056 .0007 |
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O2 .4330 .0927 .2030 .0172 .0106 .0105 .0011 -.0010 .0012 |
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O3 -.0584 .3858 .2290 .0105 .0113 .0121 .0005 .0044 .0007 |
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O4 .2636 .4474 .0679 .0085 .0131 .0123 .0034 .0054 .0052 |
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O5 .6445 .4724 .3497 .0132 .0155 .0099 .0059 .0023 .0037 |
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F .0521 .1306 .3945 .0130 .0113 .0176 -.0016 .0015 .0010 |
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