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Wycheproofite |
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Kolitsch U |
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European Journal of Mineralogy 15 (2003) 1029-1034 |
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The crystal structure of wycheproofite, NaAlZr(PO4)2(OH)2.H2O |
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_database_code_amcsd 0007022 |
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5.263 9.251 9.480 109.49 98.57 90.09 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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Na .2639 .2812 .4670 .884 .0320 .0310 .0274 .0573 -.0048 -.0149 .0131 |
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Al -.2475 .07698 -.49748 .0077 .0077 .0078 .0079 .0013 .0029 .0025 |
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Zr .25452 .25660 .01905 .00557 .0049 .0058 .0061 .00050 .00093 .00216 |
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P1 .8058 .14282 .19870 .0062 .0055 .0064 .0072 .0005 .0008 .0030 |
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P2 -.3072 .34173 -.18984 .0059 .0059 .0057 .0064 .0012 .0013 .0023 |
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O1 .8291 .1785 .3691 .0093 .0124 .0105 .0059 -.0020 .0025 .0032 |
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O2 .2559 .0284 -.1128 .0139 .0212 .0054 .0119 .0000 .0018 -.0012 |
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O3 .0614 .1949 .1675 .0122 .0085 .0166 .0142 -.0004 .0033 .0081 |
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O4 .5912 .2356 .1483 .0121 .0096 .0100 .0164 .0024 -.0007 .0052 |
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O5 .2613 .4855 .1513 .0139 .0191 .0064 .0142 -.0013 .0035 .0007 |
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O6 -.3350 .2671 -.3617 .0098 .0115 .0101 .0075 .0023 .0030 .0019 |
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O7 -.0834 .2770 -.1115 .0136 .0115 .0161 .0137 .0027 .0000 .0065 |
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O8 .4458 .3097 -.1344 .0120 .0092 .0159 .0121 .0008 .0035 .0056 |
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Oh9 .0970 .1061 -.4001 .0099 .0103 .0081 .0090 .0014 .0017 .0000 |
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Oh10 -.5899 .0288 -.6104 .0100 .0099 .0099 .0105 -.0011 .0019 .0039 |
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Ow11 .4306 .5264 .5436 .507 .053 |
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Ow12 .103 .4853 .629 .390 .066 |
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H12A .170 .409 .607 .040 |
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H12B .951 .495 .522 .040 |
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H9 .137 .157 -.334 .040 |
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H10 -.621 .007 -.688 .040 |
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