Melanterite
Anderson J L, Peterson R C, Swainson I P
The Canadian Mineralogist 45 (2007) 457-469
The atomic structure and hydrogen bonding of deuterated melanterite, FeSO4*7D2O
Locality: synthetic
_database_code_amcsd 0006145
14.0774 6.5039 11.0506 90 105.604 90 P2_1/c
atom     x    y    z occ Uiso
Fe1      0    0    0     .006
Fe2     .5   .5    0     .005
S    .2294 .475 .176     .007
O1   .2076 .472 .038     .034
O2   .1415 .537 .215     .015
O3   .3109 .618 .229     .016
O4   .2544 .266 .224     .026
Ow1   .116 .388 .432     .053
Ow2   .106 .954 .182     .034
Ow3   .032 .787 .432     .030
Ow4   .480 .454 .178     .036
Ow5   .433 .283 .442     .038
Ow6   .355 .855 .439     .030
Ow7   .363 .002 .108     .037
D11   .148 .262 .459 .94 .039
H11   .148 .262 .459 .06 .039
D12   .120 .428 .352 .94 .050
H12   .120 .428 .352 .06 .050
D22   .117 .816 .206 .94 .041
H22   .117 .816 .206 .06 .041
D24   .156 .050 .208 .94 .044
H24   .156 .050 .208 .06 .044
D31   .086 .874 .406 .94 .017
H31   .086 .874 .406 .06 .017
D32   .981 .882 .382 .94 .038
H32   .981 .882 .382 .06 .038
D43   .425 .520 .202 .94 .033
H43   .425 .520 .202 .06 .033
D47   .531 .464 .253 .94 .051
H47   .531 .464 .253 .06 .051
D54   .377 .286 .368 .94 .040
H54   .377 .286 .368 .06 .040
D57   .414 .309 .509 .94 .005
H57   .414 .309 .509 .06 .005
D6l   .300 .919 .403 .94 .033
H6l   .300 .919 .403 .06 .033
D63   .334 .774 .368 .94 .050
H63   .334 .774 .368 .06 .050
D74   .322 .080 .149 .94 .042
H74   .322 .080 .149 .06 .042
D76   .335 .884 .093 .94 .096
H76   .335 .884 .093 .06 .096