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