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C12 H43 F6 Ga5 N4 O22 P4 |
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Josien L, Simon A, Gramlich V, Patarin J |
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Chemistry - A European Journal 8 (2002) 1614-1620 |
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Hydrothermal synthesis and characterization of the new layered |
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fluorogallophosphate Mu-23 |
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_cod_database_code 1004032 |
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_database_code_amcsd 0012195 |
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8.735 8.864 12.636 98.36 100.18 115.84 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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Ga1 0 .5 0 .00893 .0055 .0099 .0100 .0023 .0026 .0025 |
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Ga2 .27456 .03080 .00642 .00971 .0060 .0099 .0133 .0032 .00440 .00271 |
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Ga3 .73844 .37774 -.27681 .01065 .0075 .0124 .0106 .0037 .00287 .00198 |
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P1 .60563 .22351 -.07886 .0097 .0055 .0103 .0135 .0028 .0044 .0041 |
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P2 .09343 .24599 .10892 .0093 .0064 .0091 .0114 .0030 .0030 .0015 |
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O4 .1917 .1410 .0939 .0155 .0159 .0179 .0170 .0123 .0057 .0014 |
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O8 .6693 .1434 -.3506 .0177 .031 .0094 .0149 .0110 .0102 .0014 |
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H8X .6497 .0624 -.3182 .040 |
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H8Y .6646 .1135 -.4198 .040 |
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O6 .4394 .1950 -.0410 .0148 .0092 .0163 .0216 .0058 .0084 .0082 |
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F2 .9032 .4362 -.3618 .0184 .0162 .0253 .0189 .0115 .0114 .0067 |
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F1 .9331 .4031 -.1601 .0136 .0101 .0177 .0122 .0067 .0031 .0015 |
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O3 .1911 .3793 .2189 .0136 .0142 .0119 .0123 .0060 .0014 -.0004 |
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O5 .3882 -.0501 .0988 .0151 .0165 .0133 .0158 .0095 .0009 .0008 |
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O9 .2324 .6451 -.0122 .0126 .0056 .0142 .0143 .0011 .0036 .0037 |
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O7 .5859 .2800 -.1855 .0142 .0098 .0189 .0162 .0070 .0063 .0075 |
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F3 .5600 .3730 -.3836 .0187 .0143 .0254 .0146 .0103 .0005 .0012 |
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O2 -.0936 .1177 .1159 .0127 .0069 .0137 .0143 .0019 .0053 .0017 |
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N1 -.1090 .7169 .3029 .0235 .016 .028 .034 .014 .0112 .012 |
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H1A -.0390 .6667 .3020 .5 .035 |
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O2W .8770 .2280 .3290 .0399 .046 .028 .040 .0066 .030 .0080 |
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H5W .9416 .3390 .3470 .040 |
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H4W .8568 .1897 .2582 .040 |
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O1W .6952 .0253 .4511 .0311 .026 .031 .026 .0046 .0093 .0022 |
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H1W .7530 .0892 .4115 .040 |
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H2W .5845 -.0403 .4167 .040 |
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N4 -.4156 .4343 .3329 .0203 .017 .026 .021 .0134 .0055 .0038 |
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H4A -.4854 .4846 .3341 .030 |
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C2 -.2720 .6120 .2109 .0261 .027 .043 .018 .024 .008 .009 |
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H2A -.2416 .6071 .1415 .039 |
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H2B -.3463 .6661 .2096 .039 |
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C5 -.2517 .5414 .4258 .0234 .022 .033 .018 .016 .004 .006 |
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H5C -.1767 .4881 .4274 .035 |
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H5D -.2823 .5464 .4951 .035 |
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C6 -.1551 .7212 .4114 .0249 .023 .027 .023 .012 .006 .001 |
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H6A -.2276 .7769 .4142 .037 |
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H6B -.0488 .7876 .4709 .037 |
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C3 -.3705 .4324 .2243 .0257 .027 .036 .017 .018 .007 .003 |
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H3A -.4768 .3680 .1646 .038 |
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H3B -.2995 .3752 .2205 .038 |
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C8 -.0124 .8945 .2886 .0417 .040 .035 .067 .023 .025 .029 |
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H8A .0154 .8882 .2184 .063 |
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H8B -.0848 .9505 .2905 .063 |
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H8C .0948 .9598 .3475 .063 |
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C7 -.5160 .2550 .3455 .0326 .028 .029 .036 .009 .006 .010 |
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H7A -.6207 .1890 .2849 .049 |
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H7B -.4419 .2007 .3462 .049 |
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H7C -.5483 .2602 .4142 .049 |
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O1 .0718 .3216 .0113 .0121 .0106 .0127 .0133 .0056 .0039 .0033 |
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