American Mineralogist Crystal Structure Database

1 matching records for this search.

Leightonite
Download hom/leightonite.pdf
Menchetti S, Bindi L, Bonazzi P, Olmi F
Download am/vol87/AM87_721.pdf
American Mineralogist 87 (2002) 721-725
Disordered distribution of Cu in the crystal structure of leightonite,
K2Ca2Cu(SO4)4.2H2O
_database_code_amcsd 0002814
11.654 7.497 10.097 90 125.21 90 C2/c
atom     x      y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .5889  .6223 .4264  .5 .0182  .0186  .0155  .0210 -.0001  .0117 -.0027
Wat  .5889  .6223 .4264  .5 .0182  .0186  .0155  .0210 -.0001  .0117 -.0027
Ca     1/2  .1261   .25     .0112  .0101  .0094  .0133      0  .0062      0
Cu1    .25    3/4     0 .37 .0114  .0102  .0094  .0126 -.0036  .0054 -.0007
Cu2      0      0     0 .31 .0135   .012   .011   .020  -.003   .010   .011
S    .6935  .1228 .6374     .0096  .0079  .0108  .0081 -.0017  .0035 -.0004
O1   .8544  .5914 .7579     .0167   .015   .022   .013   .004   .008  -.002
O2   .6599 -.0317 .5290     .0177   .018   .015   .016  -.003   .008  -.004
O3   .6546  .6558 .7624     .0161   .007   .022   .015   .004   .004   .001
O4   .6163  .2760 .5289     .0185   .019   .018   .018   .009   .010   .011
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