K2Fe(SO4)2(H2O)6
Bosi F, Belardi G, Ballirano P
American Mineralogist 94 (2009) 74-82
Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2,
with M2+= Mg, Fe, Co, Ni, Cu, and Zn
Locality: synthetic
_database_code_amcsd 0004777
9.0822 12.2786 6.1765 90 104.568 90 P2_1/a
atom       x       y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
K     .13292  .34612 .34165 .03318  .0335  .0321  .0281  -.0024  .0088  -.0002
FeM        0       0      0 .01664  .0152  .0171  .0157 -.00117 .00047  .00022
S     .41170  .13502 .72661 .02074  .0166  .0206  .0174 -.00235  .0016 -.00192
O1     .4065  .22972  .5758  .0370  .0515  .0258  .0242  -.0121  .0038   .0041
O2     .5553   .0764  .7503  .0441  .0202  .0598  .0410   .0109 -.0016  -.0133
O3    .28558  .06087  .6222  .0276  .0230  .0261  .0263  -.0083  .0051  -.0056
O4     .3960  .17192  .9476  .0303  .0377  .0280  .0199  -.0031  .0081  -.0040
OW1    .1725  .11375  .1714  .0284  .0228  .0309  .0214  -.0072 -.0013   .0004
OW2  -.17268  .11702  .0311  .0265  .0210  .0237  .0284   .0028  .0043   .0011
OW3   -.0045 -.07101  .3023  .0274  .0307  .0253  .0214   .0032  .0084   .0037
H11     .215    .088   .298   .029
H12     .247    .121   .108   .061
H21    -.262    .102  -.070   .035
H22    -.128    .185   .034   .070
H31    -.093   -.070   .341   .055
H32     .040   -.141   .354   .061