Guildite
Wan C, Ghose S, Rossman G R
American Mineralogist 63 (1978) 478-483
Guildite, a layer structure with a ferric hydroxy-sulphate chain and its optical
absorption spectra
Note: OW2 y-coordinate changed in order to reproduce OW2 bond lengths
Note: O6 z-coordinated change from .433 to .0433 to ensure SO4 group
_database_code_amcsd 0000661
9.786 7.134 7.263 90 105.28 90 P2_1/m
atom     x     y     z Biso
Fe       0     0     0  .78
Cu   .3497   .25 .6224 1.25
S1   .0180   .25 .6362  .71
S2   .7056   .25 .8828  .74
H1    .035   .25  .229 5.12
H2    .738  .061  .443 3.50
H3    .445   .25  .902 3.50
O1   .1172   .25 .5163 1.15
O2   .0489 .0812 .7612 1.27
O3   .8727   .25 .5223 1.33
O4   .7944 .0798 .8903 1.28
O5   .5967   .25 .7028 1.21
O6   .6436   .25 .0433 1.82
Oh   .0487   .25 .1148  .77
OW1  .3731   .25 .3548 5.12
OW2  .6498 .4765 .3773 4.10
OW3  .3549   .25 .9039 3.40