American Mineralogist Crystal Structure Database

1 matching records for this search.

[Mg(H2O)6]CsCl3
 
Waizumi K, Masuda H, Ohtaki H, Scripkin M Y, Burkov K A
Download am/vol76/AM76_1884.pdf
American Mineralogist 76 (1991) 1884-1888
Crystallographic investigations of [Mg(H2O)6]XCl3 double salts
(X = K, Rb, Cs, NH4): Crystal structure of [Mg(H2O)6]CsCl3
Note: modified perovskite structure
_database_code_amcsd 0001434
6.7507 13.495 6.750 90.13 91.15 90.18 P1
atom      x      y       z Biso
Cs1       0      0       0  2.3
Cs2  .01495 .50000 -.01483  2.4
Mg1   .5042  .2484    .492  1.5
Mg2   .5025  .7483   .4891  1.4
Cl1   .0225 -.0026   .4965  2.2
Cl2  -.0096  .5054   .4878  2.2
Cl3   .5004  .0040  -.0224  2.2
Cl4   .5090  .4960   .0098  2.4
Cl5   .0061  .2491   .9951  2.5
Cl6   .0066  .7494   .9896  2.4
Oh1   .6014  .2909   .2168  2.4
Oh2    .580  .3883    .597  3.7
Oh3   .2234  .3007    .418  2.6
Oh4   .7744  .1924   .5844  2.2
Oh5   .4185  .1139   .3833  2.0
Oh6   .3960  .2127   .7628  2.6
Oh7   .4087  .8072   .2174  2.6
Oh8   .4022  .6158    .411  2.9
Oh9    .619  .8902    .576  2.5
Oh10  .5794  .6981   .7684  2.2
Oh11  .7738  .7160    .383  2.6
Oh12  .2290  .7941   .5916  2.4
H1A     .69   .266     .15  3.0
H1B     .59   .359     .19  3.2
H2A     .53   .408     .71  3.0
H2B     .72   .404     .59  3.3
H3A     .19   .366     .45  2.9
H3B     .16   .280     .30  2.5
H4A     .83   .126     .55  2.6
H4B     .80   .210     .70  3.8
H5A     .30   .082     .47  2.2
H5B     .43   .098     .25  3.2
H6A     .41   .146     .82  2.5
H6B     .28   .243     .83  3.8
H7A     .32   .785     .16  2.0
H7B     .45   .862     .17  3.9
H8A     .28   .595     .47  3.0
H8B     .46   .583     .30  3.3
H9A     .71   .924     .52  3.1
H9B     .57   .925     .69  2.8
H10A    .56   .630     .79  2.8
H10B    .69   .720     .84  2.2
H11A    .82   .746     .28  4.2
H11B    .81    .66     .42  5.1
H12A    .18   .843     .54  2.8
H12B    .18   .773     .70  2.9
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