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Carnallite |
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Schlemper E O, Sen Gupta P K, Zoltai T |
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American Mineralogist 70 (1985) 1309-1313 |
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Refinement of the structure of carnallite, Mg(H2O)6KCl3 |
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_database_code_amcsd 0001005 |
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16.119 22.472 9.551 90 90 90 Pnna |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K1 .25 0 .2486 3.46 .00329 .00181 .00901 -.00006 0 0 |
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K2 .08860 .15668 .74995 3.29 .00350 .00146 .00893 .00004 -.00014 .00012 |
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Mg1 .25657 .25 .25 1.87 .00179 .00107 .00433 0 0 -.00009 |
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Mg2 .42094 .08981 .74770 1.89 .00182 .00110 .00416 -.00000 -.00022 -.00008 |
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Cl1 .23939 .25 .75 2.82 .00265 .00166 .00638 0 0 -.00052 |
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Cl2 .16583 .07525 .98526 2.86 .00282 .00152 .00704 -.00034 .00035 -.00045 |
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Cl3 .16928 .08113 .48834 2.89 .00283 .00158 .00690 -.00027 -.00063 .00045 |
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Cl4 .41462 .08176 .25235 3.04 .00347 .00158 .00627 .00026 -.00065 -.00048 |
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Cl5 .01987 .24957 .97686 2.94 .00260 .00193 .00608 -.00000 -.00037 .00025 |
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O1 .1308 .25 .25 3.54 .00183 .00326 .00575 0 0 .00023 |
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O2 .3834 .25 .25 3.15 .00163 .00267 .00630 0 0 -.00034 |
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O3 .2554 .20704 .4384 3.13 .00443 .00149 .00479 -.00038 .00006 .00017 |
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O4 .2673 .16936 .1506 3.57 .00321 .00156 .01156 .00042 -.00209 -.00177 |
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O5 .4466 .01041 .6500 3.39 .00318 .00145 .01079 .00046 -.00185 -.00166 |
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O6 .2967 .07117 .7349 3.41 .00200 .00282 .00679 -.00041 -.00021 -.00014 |
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O7 .4259 .04662 .9354 3.26 .00469 .00155 .00479 -.00058 -.00053 .00012 |
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O8 .3956 .16912 .8444 3.62 .00289 .00159 .01268 .00044 -.00212 -.00174 |
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O9 .5448 .10769 .7631 3.32 .00205 .00277 .00622 -.00004 -.00030 .00019 |
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O10 .4179 .13155 .5580 3.48 .00510 .00152 .00567 -.00040 -.00073 .00034 |
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H1 .604 .250 .679 4.1 |
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H2 .412 .251 .313 4.6 |
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H13 .737 .173 .543 4.3 |
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H23 .250 .222 .505 4.3 |
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H14 .734 .348 .587 4.4 |
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H24 .303 .345 .335 3.9 |
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H15 .514 .009 .326 5.1 |
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H25 .417 .994 .606 3.2 |
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H16 .768 .072 .345 5.5 |
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H26 .264 .434 .682 9 |
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H17 .399 .490 .568 7.2 |
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H27 .422 .442 .500 2.9 |
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H18 .359 .317 .673 3.5 |
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H28 .429 .311 .623 4.3 |
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H19 .565 .401 .679 2.9 |
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H29 .573 .104 .695 5.3 |
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H110 .438 .160 .561 4.7 |
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H210 .411 .115 .475 8 |
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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 (permalink)
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Carnallite |
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Fischer W |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1973 (1973) 100-109 |
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Die kristallstruktur des carnallits KMgCl3*6H2O |
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Locality: synthetic |
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_database_code_amcsd 0014748 |
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9.598 16.1410 22.519 90 90 90 Pbnn |
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atom x y z Biso |
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K1 .2489 .25 0 3.4 |
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K2 .7502 .0886 .1567 3.24 |
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Mg1 .25 .2562 .25 1.9 |
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Mg2 .7477 .4209 .0901 1.87 |
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Cl1 .75 .2392 .25 2.7 |
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Cl2 -.0145 .1661 .0754 2.83 |
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Cl3 .4878 .1690 .0811 2.92 |
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Cl4 .2523 .4144 .0819 3.02 |
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Cl5 -.0230 .0201 .2494 2.92 |
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Wat11 .25 .1299 .25 3.73 |
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Wat12 .25 .3839 .25 3.27 |
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Wat13 .4396 .2548 .2067 2.94 |
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Wat14 .1520 .2683 .1688 3.52 |
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Wat21 .6495 .4469 .0095 3.44 |
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Wat22 .7346 .2965 .0713 3.54 |
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Wat23 .9376 .4263 .0467 3.14 |
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Wat24 .8427 .3944 .1701 3.65 |
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Wat25 .7630 .5457 .1075 3.17 |
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Wat26 .5561 .4183 .1316 3.52 |
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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 (permalink)
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