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[Mg(H2O)6]CsCl3 |
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Waizumi K, Masuda H, Ohtaki H, Scripkin M Y, Burkov K A |
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American Mineralogist 76 (1991) 1884-1888 |
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Crystallographic investigations of [Mg(H2O)6]XCl3 double salts |
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(X = K, Rb, Cs, NH4): Crystal structure of [Mg(H2O)6]CsCl3 |
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Note: modified perovskite structure |
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_database_code_amcsd 0001434 |
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6.7507 13.495 6.750 90.13 91.15 90.18 P1 |
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atom x y z Biso |
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Cs1 0 0 0 2.3 |
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Cs2 .01495 .50000 -.01483 2.4 |
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Mg1 .5042 .2484 .492 1.5 |
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Mg2 .5025 .7483 .4891 1.4 |
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Cl1 .0225 -.0026 .4965 2.2 |
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Cl2 -.0096 .5054 .4878 2.2 |
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Cl3 .5004 .0040 -.0224 2.2 |
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Cl4 .5090 .4960 .0098 2.4 |
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Cl5 .0061 .2491 .9951 2.5 |
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Cl6 .0066 .7494 .9896 2.4 |
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Oh1 .6014 .2909 .2168 2.4 |
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Oh2 .580 .3883 .597 3.7 |
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Oh3 .2234 .3007 .418 2.6 |
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Oh4 .7744 .1924 .5844 2.2 |
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Oh5 .4185 .1139 .3833 2.0 |
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Oh6 .3960 .2127 .7628 2.6 |
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Oh7 .4087 .8072 .2174 2.6 |
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Oh8 .4022 .6158 .411 2.9 |
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Oh9 .619 .8902 .576 2.5 |
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Oh10 .5794 .6981 .7684 2.2 |
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Oh11 .7738 .7160 .383 2.6 |
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Oh12 .2290 .7941 .5916 2.4 |
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H1A .69 .266 .15 3.0 |
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H1B .59 .359 .19 3.2 |
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H2A .53 .408 .71 3.0 |
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H2B .72 .404 .59 3.3 |
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H3A .19 .366 .45 2.9 |
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H3B .16 .280 .30 2.5 |
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H4A .83 .126 .55 2.6 |
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H4B .80 .210 .70 3.8 |
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H5A .30 .082 .47 2.2 |
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H5B .43 .098 .25 3.2 |
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H6A .41 .146 .82 2.5 |
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H6B .28 .243 .83 3.8 |
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H7A .32 .785 .16 2.0 |
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H7B .45 .862 .17 3.9 |
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H8A .28 .595 .47 3.0 |
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H8B .46 .583 .30 3.3 |
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H9A .71 .924 .52 3.1 |
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H9B .57 .925 .69 2.8 |
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H10A .56 .630 .79 2.8 |
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H10B .69 .720 .84 2.2 |
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H11A .82 .746 .28 4.2 |
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H11B .81 .66 .42 5.1 |
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H12A .18 .843 .54 2.8 |
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H12B .18 .773 .70 2.9 |
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