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Ferrierite-Na |
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Gramlich-Meier R, Gramlich V, Meier W M |
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American Mineralogist 70 (1985) 619-623 |
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The crystal structure of the monoclinic variety of ferrierite |
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Locality: Altoona, Washinton, USA |
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_database_code_amcsd 0000995 |
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18.886 14.182 7.470 90 90.0 90 P2_1/n |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NaI .4990 .2731 -.012 .75 .012 .18 .045 .01 .000 .02 |
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KI .4990 .2731 -.012 .25 .012 .18 .045 .01 .000 .02 |
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MgIII .5 .5 0 .25 .03 .5 .19 -.13 -.01 .0 |
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Si11 .1548 .0058 .0004 .861 .013 .015 .016 -.005 .001 -.001 |
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Al11 .1548 .0058 .0004 .139 .013 .015 .016 -.005 .001 -.001 |
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Si21 .0820 .2055 .0026 .861 .007 .014 .016 .001 .000 .004 |
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Al21 .0820 .2055 .0026 .139 .007 .014 .016 .001 .000 .004 |
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Si22 .4143 .3056 .5054 .861 .015 .018 .014 -.003 .003 .000 |
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Al22 .4143 .3056 .5054 .139 .015 .018 .014 -.003 .003 .000 |
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Si31 .2738 .0058 .2935 .861 .021 .014 .018 .006 -.002 .004 |
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Al31 .2738 .0058 .2935 .139 .021 .014 .018 .006 -.002 .004 |
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Si32 .2747 .0057 .7089 .861 .021 .015 .016 -.002 .005 -.005 |
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Al32 .2747 .0057 .7089 .139 .021 .015 .016 -.002 .005 -.005 |
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Si41 .3245 .2083 .2150 .861 .017 .012 .024 -.003 -.007 -.002 |
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Al41 .3245 .2083 .2150 .139 .017 .012 .024 -.003 -.007 -.002 |
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Si42 .1756 .3031 .2983 .861 .021 .015 .015 -.004 .006 .000 |
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Al42 .1756 .3031 .2983 .139 .021 .015 .015 -.004 .006 .000 |
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Si43 .3176 .2124 .7996 .861 .016 .017 .019 .001 .006 .001 |
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Al43 .3176 .2124 .7996 .139 .016 .017 .019 .001 .006 .001 |
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Si44 .1678 .3058 .7119 .861 .014 .007 .021 -.001 .000 .002 |
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Al44 .1678 .3058 .7119 .139 .014 .007 .021 -.001 .000 .002 |
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O11 -.0017 .2088 .034 .013 .049 .05 -.003 .002 .005 |
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O21 .2518 .005 .501 .037 .049 .019 -.01 .005 -.00 |
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O31 .1069 .0975 -.015 .04 .025 .05 .016 -.002 .007 |
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O32 .3993 .4158 .487 .04 .012 .08 .008 .017 .007 |
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O41 .2029 .008 .181 .042 .067 .033 .03 -.012 .00 |
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O42 .2041 -.002 -.176 .038 .064 .034 -.01 .015 -.00 |
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O51 .2506 .255 .279 .042 .034 .05 .013 .015 -.007 |
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O52 .2396 .254 -.236 .023 .039 .064 .010 -.012 -.002 |
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O61 .3403 .2306 .009 .038 .035 .03 -.019 .002 -.003 |
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O62 .1482 .2899 .504 .055 .032 .013 -.004 .003 -.006 |
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O71 .1175 .2535 .176 .05 .055 .029 -.013 -.006 .001 |
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O72 .3898 .2520 .326 .054 .033 .030 -.008 -.009 -.012 |
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O73 .3774 .2634 -.318 .05 .043 .033 .003 .010 .009 |
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O74 .1023 .2619 -.177 .049 .023 .034 -.011 .005 .010 |
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O81 .3237 .0969 .245 .06 .018 .05 -.008 .011 .005 |
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O82 .1790 .4132 .248 .03 .016 .05 .006 .012 .005 |
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O83 .3183 .0997 -.238 .03 .024 .05 .003 -.001 .020 |
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O84 .1707 .4161 -.245 .040 .009 .05 -.012 -.007 .003 |
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WatII .402 .441 .002 .5 .02 .08 .07 -.01 .01 .00 |
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WatII' .096 .071 .505 .5 .11 .10 .05 -.05 .00 .00 |
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WatIV .000 -.007 -.267 .5 .03 .25 .09 -.01 .00 .10 |
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WatV .487 .113 .04 .5 .03 .8 .6 .09 -.12 -.2 |
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WatVI .451 .049 -.031 .5 .15 .4 .35 .22 -.13 -.20 |
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WatVII .490 .072 -.22 .25 .08 .05 .19 .01 -.00 .06 |
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WatVIII .500 .048 .25 .25 .17 .3 .23 -.02 .00 -.24 |
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WatIX .500 .053 .40 .25 .14 .09 .3 -.04 .13 -.13 |
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Lu(AsO4) |
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Lohmuller G, Schmidt G, Deppisch B, Gramlich V, Scheringer C |
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Acta Crystallographica B29 (1973) 141-142 |
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Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat |
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Locality: synthetic |
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Note: isostructural with Chernovite-(Y) |
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_database_code_amcsd 0009470 |
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6.949 6.949 6.227 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Lu1 0 .75 .125 .00123 .00123 .00129 0 0 0 |
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As1 0 .25 .375 .00109 .00109 .00103 0 0 0 |
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O1 0 .4333 .1989 .00441 .00203 .00330 0 0 -.00078 |
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Lu(PO4) |
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Lohmuller G, Schmidt G, Deppisch B, Gramlich V, Scheringer C |
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Acta Crystallographica B29 (1973) 141-142 |
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Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat |
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Locality: synthetic |
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Note: isostructural with xenotime-(Y) |
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_database_code_amcsd 0009471 |
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6.792 6.792 5.955 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Lu 0 .75 .125 .00200 .00200 .00078 0 0 0 |
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P 0 .25 .375 .00240 .00240 .00127 0 0 0 |
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O 0 .4260 .2139 .00487 .00338 .00238 0 0 .00039 |
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Wakefieldite-(Y) |
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Lohmuller G, Schmidt G, Deppisch B, Gramlich V, Scheringer C |
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Acta Crystallographica B29 (1973) 141-142 |
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Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat |
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Locality: synthetic |
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_database_code_amcsd 0009472 |
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7.120 7.120 6.289 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Y 0 .75 .125 .00113 .00113 .00089 0 0 0 |
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V 0 .25 .375 .00112 .00112 .00101 0 0 0 |
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O 0 .4352 .2001 .00552 .00282 .00398 0 0 .00055 |
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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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Al B2 Li3 O6 |
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He M, Chen X, Gramlich V, Baerlocher C, Zhou T, Hu B |
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Journal of Solid State Chemistry 163 (2002) 369-376 |
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Synthesis,structure, and thermal stability of Li3AlB2O6 |
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_cod_database_code 1100060 |
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_database_code_amcsd 0018240 |
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4.876 6.191 7.910 74.46 89.44 89.52 P-1 |
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atom x y z |
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Al .1506 .5504 -.7279 |
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B1 -.161 .822 -.569 |
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B2 .667 .672 -.910 |
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O1 .1131 .7567 -.6043 |
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O2 -.2896 .9963 -.6838 |
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O3 -.2766 .6988 -.4084 |
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O4 .3818 .6669 -.8933 |
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O5 .8141 .5089 -.7856 |
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O6 .7881 .8401 -.0350 |
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Li1 -.347 .264 -.597 |
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Li2 -.167 .117 -.932 |
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Li3 .680 .954 -.255 |
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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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