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Ba4Nb2O3F12 |
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Crosnier-Lopez M, Fourquet J |
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Journal of Solid State Chemistry 103 (1993) 131-138 |
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Synthesis and crystal structure of Ba4Nb2O3F12 |
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_cod_database_code 1000324 |
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_database_code_amcsd 0013769 |
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22.672 13.075 14.996 90 114.234 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba1 .4155 .0063 .6119 .0140 .0088 .0120 .0005 .0069 .0002 |
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Ba2 .4063 .1619 .3407 .0106 .0106 .0084 -.0006 .0032 .0009 |
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Ba3 .4232 .6607 .6106 .0150 .0105 .0132 -.0013 .0088 -.0010 |
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Ba4 .4172 .3319 .6114 .0113 .0087 .0098 -.0006 .0038 .0002 |
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Ba5 .5870 .5058 .1434 .0127 .0103 .0090 .0002 .0029 .0006 |
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Ba6 .7600 .3242 .1678 .0096 .0114 .0096 .0005 .0047 .0005 |
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Nb1 .7628 .3614 .5871 .0110 .0105 .0069 -.0030 .0018 .0007 |
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Nb2 .5610 .1662 .6026 .0086 .0106 .0072 -.0004 .0033 -.0003 |
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Nb3 .7608 .0425 .1111 .0091 .0086 .0080 -.0005 .0038 -.0012 |
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F1 .4568 .1653 .5386 .0102 .0156 .0117 -.0030 .0045 -.0023 |
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F2 .5407 .1631 .4559 .0215 .0136 .0082 -.0006 .0068 -.0011 |
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F3 .4568 .4953 .5473 .0163 .0134 .0109 -.0007 .0068 .0022 |
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F4 .3683 .3344 .4102 .0160 .0152 .0147 -.0005 .0077 .0003 |
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F5 .1751 .1394 .2873 .0191 .0112 .0164 .0002 .0007 .0024 |
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F6 .3544 .1673 .6170 .0158 .0143 .0269 .0002 .0129 -.0004 |
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F7 .2855 .3649 .5256 .0171 .0266 .0151 .0035 .0061 -.0095 |
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F8 .4505 .3337 .2998 .0193 .0118 .0161 -.0003 .0087 .0003 |
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F9 .3653 .8254 .6376 .0187 .0189 .0252 .009 .0145 .0079 |
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F10 .6443 .4853 .3583 .0146 .0188 .0210 -.0071 .0076 .0018 |
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F11 .2749 .4550 .2231 .0223 .0177 .0188 -.0012 .0086 .0065 |
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F12 .5465 .3129 .5495 .0364 .0097 .0218 -.0011 .0131 -.0019 |
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F13 .4316 -.0199 .4384 .0534 .0084 .0240 .0027 .0109 .0002 |
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F14 .5 .4552 .75 .0505 .0234 .0228 0 -.0108 0 |
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F15 .5441 .2553 .6994 .0206 .0548 .0143 .0077 .0054 -.0176 |
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F16 .2812 .2219 .2056 .0196 .0203 .012 .0047 .0059 -.0043 |
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F17 .4538 -.0699 .3037 .0263 .0511 .0190 -.0075 .0092 .0166 |
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F18 .1894 .4717 .8149 .0306 .0143 .0176 .0037 .0122 .0067 |
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F19 .5 .8852 .75 .0454 .0193 .0206 0 -.0075 0 |
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O1 .1430 .3210 .1517 .0119 .0323 .0162 -.0010 .0031 .0004 |
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O2 .2205 .4520 .0062 .0151 .0146 .0134 .0002 .0046 -.0073 |
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O3 .1851 -.0993 .5659 .0122 .0646 .0285 .0058 .0078 .0258 |
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O4 .3057 .1144 .3946 .0166 .0232 .0209 -.0058 .0088 .0018 |
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O5 .25 .25 0 .1126 .0287 .0209 .0418 .0323 .0121 |
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