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Scorodite |
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Xu Y, Zhou G P, Zheng X F |
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Acta Crystallographica E63 (2007) i67-i69 |
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Redetermination of iron(III) arsenate dihydrate |
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Locality: synthetic |
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_database_code_amcsd 0010474 |
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8.942 10.075 10.339 90 90 90 Pbca |
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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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As .03548 .13613 .15181 .00784 .0082 .0061 .0092 .00017 .00019 -.00045 |
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Fe .14664 -.18243 .12664 .00875 .0091 .0076 .0096 .0001 .0001 -.0002 |
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O1 .0069 -.0295 .1428 .0109 .0099 .0058 .0170 .0002 .0017 .0000 |
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O2 .2139 .1654 .1093 .0129 .0101 .0096 .0190 -.0021 .0031 -.0022 |
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O3 .0037 .1951 .3012 .0123 .0167 .0106 .0098 .0016 -.0001 -.0027 |
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O4 -.0834 .2159 .0511 .0139 .0165 .0129 .0121 .0055 -.0048 -.0022 |
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O1W .2293 -.1175 .3004 .0143 .0121 .0177 .0132 -.0034 -.0014 .0012 |
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H1A .189 -.153 .365 .021 |
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H1B .321 -.108 .319 .021 |
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O2W .3285 -.0701 .0547 .0181 .0215 .0083 .0246 -.0004 .0069 .0002 |
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H2A .359 -.093 -.018 .027 |
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H2B .315 .0120 .063 .027 |
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Gysinite-(Nd) |
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Feng W J, Zhou G P, Liu Z B, Xu Y |
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Acta Crystallographica E63 (2007) i174-i174 |
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Nd(CO3)(OH) from single-crystal data |
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Locality: synthetic |
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_database_code_amcsd 0010477 |
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7.231 4.964 8.489 90 90 90 Pnma |
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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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Nd .35584 .25 .83332 .00774 .0073 .0066 .0093 0 .00035 0 |
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C .1960 -.25 .6793 .0074 .007 .006 .009 0 .0028 0 |
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O1 .1525 -.0258 .6121 .0095 .0106 .0075 .0103 .0010 .0005 .0007 |
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O2 .0386 .25 .8949 .0144 .010 .024 .0089 0 .0002 0 |
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O3 .2941 -.25 .8032 .0141 .021 .008 .0140 0 -.0064 0 |
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H 0 .154 .970 .5 .017 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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