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Mooreite |
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Hill R J |
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Acta Crystallographica B36 (1980) 1304-1311 |
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The structure of mooreite |
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Locality: Sterling Hill, New Jersey, USA |
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Note: Isotropic and anisotropic displacement factors taken from ICSD |
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_database_code_amcsd 0009711 |
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11.147 20.350 8.202 90 92.69 90 P2_1/a |
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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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Mg1 .04530 -.00217 .18168 .0069 .0173 .0082 -.0004 .0019 .0018 |
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Mg2 .31801 -.00420 .27219 .0080 .0181 .0079 -.0011 .0020 -.0007 |
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Mg3 .13643 -.00408 .54463 .0048 .0138 .0093 .0006 .0020 -.0012 |
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Mg4 .40908 .00041 .63507 .0077 .0165 .0079 .0008 .0009 -.0009 |
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Mg5 .5 0 0 .0092 .0155 .0047 -.0001 .0001 .0010 |
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Zn1 .23039 .08363 .90475 .0086 .0115 .0105 .0003 .0013 -.0001 |
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Zn2 .27372 .40940 .09073 .0104 .0124 .0103 -.0010 .0020 -.0012 |
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Mn .36743 .24605 .98358 .941 .0119 .0133 .0169 -.0005 .0025 -.0001 |
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S .12580 .22529 .46938 .0216 .0273 .0168 .0021 .0046 .0007 |
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O1 .0342 .1808 .4090 .089 .049 .217 -.036 -.085 .031 |
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O2 .2400 .1926 .4612 .034 .105 .082 .041 .037 .045 |
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O3 .1166 .2836 .3681 .049 .080 .061 .012 .006 .052 |
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O4 .1074 .2396 .6325 .169 .159 .013 .124 .002 -.011 |
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Oh5 .2452 .3146 .0768 .016 .013 .015 .000 .005 -.001 |
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Oh6 .2286 .1808 .9099 .018 .019 .019 -.005 .004 -.003 |
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Oh7 .1676 .0463 .3298 .013 .011 .010 .000 .004 -.001 |
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Oh8 .4379 .0504 .4213 .014 .010 .011 .003 .003 .001 |
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Oh9 -.0109 .0510 .6069 .009 .014 .008 .001 -.002 .000 |
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Oh10 .0718 .0542 -.0293 .009 .017 .009 -.001 .002 -.002 |
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Oh11 .2580 .0567 .6803 .012 .011 .008 -.001 .002 .000 |
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Oh12 .3527 .0559 .0670 .009 .012 .014 -.001 .003 .000 |
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Oh13 .1170 .4423 .1552 .008 .015 .017 .001 .006 -.003 |
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Oh14 .2109 .4462 .5130 .008 .015 .010 .001 .002 .002 |
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Oh15 .3067 .4380 .8691 .011 .015 .011 -.001 .001 .001 |
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Oh16 .4008 .4393 .2469 .013 .013 .011 .001 .001 -.001 |
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Oh17 .0277 .4503 .7907 .012 .008 .004 .001 .002 -.001 |
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Ow18 .0174 .1877 .0606 .021 .025 .026 .010 .006 -.006 |
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Ow19 .3987 .1903 .2153 .023 .026 .024 -.004 .002 .009 |
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Ow20 .0287 .3110 .8884 .021 .022 .024 .000 -.001 -.003 |
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Ow21 .3602 .2956 .7405 .030 .046 .026 -.004 .006 .004 |
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H5 .231 .307 .153 .05 |
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H6 .214 .187 .857 .05 |
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H7 .171 .082 .341 .05 |
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H8 .450 .085 .426 .05 |
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H9 .000 .084 .599 .05 |
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H10 .057 .078 -.004 .05 |
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H11 .259 .092 .640 .05 |
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H12 .375 .083 .105 .05 |
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H13 .085 .418 .164 .05 |
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H14 .224 .414 .500 .05 |
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H15 .316 .403 .818 .05 |
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H16 .431 .406 .287 .05 |
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H17 .030 .409 .800 .05 |
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H181 .025 .199 .128 .05 |
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H186 .097 .180 .003 .05 |
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H192 .355 .189 .302 .05 |
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H193 .442 .204 .243 .05 |
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H204 .032 .298 .792 .05 |
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H205 .084 .316 .970 .05 |
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H214 .404 .292 .687 .05 |
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H214' .303 .282 .685 .05 |
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