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Zigrasite |
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Hawthorne F C, Simmons W B |
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Mineralogical Magazine 74 (2010) 567-575 |
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The crystal structure of zigrasite, MgZr(PO4)2(H2O)4, |
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a heteropolyhedral framework structure |
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Locality: Newry, Oxford County, Maine, USA |
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_database_code_amcsd 0014605 |
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5.3049 9.3372 9.6282 97.348 91.534 90.512 P-1 |
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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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Zr .25362 .74773 .49040 .00794 .00537 .00899 .00943 -.00084 -.00038 .00079 |
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P(1) .26500 .45008 .68108 .0129 .0104 .0144 .0137 -.0010 -.0005 .0016 |
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P(2) .23232 .06111 .32252 .0123 .0102 .0132 .0133 -.0013 -.0003 .0014 |
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Mg(1) 0 0 0 .0185 .0126 .0290 .0139 -.0030 -.0010 .0030 |
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Mg(2) .5 .5 0 .0199 .0179 .0242 .0168 -.0002 -.0017 .0004 |
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O(1) .3139 .5903 .6181 .0234 .0225 .0209 .0280 -.0004 .0006 .0073 |
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O(2) .2402 .4846 .8389 .0197 .0173 .0272 .0140 .0020 -.0005 .0010 |
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O(3) .4845 .3458 .6475 .0195 .0165 .0217 .0205 .0055 .0025 .0026 |
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O(4) .0220 .3765 .6176 .0228 .0159 .0254 .0254 -.0062 -.0035 -.0014 |
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O(5) .0048 .1546 .3686 .0219 .0169 .0233 .0248 .0035 .0040 -.0003 |
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O(6) .2539 .0557 .1641 .0188 .0136 .0286 .0145 -.0032 -.0009 .0043 |
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O(7) .4720 .1273 .3959 .0201 .0162 .0222 .0213 -.0056 -.0032 .0021 |
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O(8) .1909 -.0929 .3600 .0200 .0214 .0144 .0247 -.0035 -.0042 .0054 |
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O(9) .2710 .8701 .8935 .0247 .0160 .0356 .0218 -.0026 .0006 .0014 |
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O(10) .1377 .1631 .8947 .0310 .0298 .0305 .0333 -.0092 -.0013 .0064 |
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O(11) .2305 .3942 .1149 .0275 .0221 .0312 .0300 .0012 .0039 .0056 |
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O(12) .3467 .6878 .0819 .0313 .0354 .0309 .0270 .0095 -.0031 .0018 |
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H(1) .436 .912 .877 .084 |
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H(2) .203 .819 .805 .084 |
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H(3) .135 .260 .947 .084 |
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H(4) .112 .156 .793 .084 |
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H(5) .075 .449 .133 .084 |
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H(6) .273 .360 .205 .084 |
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H(7) .320 .764 .022 .084 |
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H(8) .420 .717 .176 .084 |
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