data_global
_chemical_name_mineral 'Melanterite'
loop_
_publ_author_name
'Mauro D'
'Biagioni C'
'Pasero M'
_journal_name_full 'Periodico di Mineralogia'
_journal_volume 87 
_journal_year 2018
_journal_page_first 89
_journal_page_last 96
_publ_section_title
;
 Crystal-chemistry of sulfates from Apuan Alps (Tuscany, Italy).
 I. Crystal structure and hydrogen bond system of melanterite, Fe(H2O)6(SO4)*H2O
;
_database_code_amcsd 0020894
_chemical_compound_source 'Fornovolasco mine, Tuscany, Italy'
_chemical_formula_sum '(Fe.925 Mg.075) S O11 H14'
_cell_length_a 14.0751
_cell_length_b 6.5014
_cell_length_c 11.0426
_cell_angle_alpha 90
_cell_angle_beta 105.632
_cell_angle_gamma 90
_cell_volume 973.109
_exptl_crystal_density_diffrn      1.882
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
FeM1   0.00000   0.00000   0.00000   0.92000   0.02253
MgM1   0.00000   0.00000   0.00000   0.08000   0.02253
FeM2   0.50000   0.00000   0.50000   0.93000   0.02263
MgM2   0.50000   0.00000   0.50000   0.07000   0.02263
S   0.22670   0.47165   0.17616   1.00000   0.02070
O1   0.20482   0.47065   0.03726   1.00000   0.02934
O2   0.13742   0.53708   0.21196   1.00000   0.03089
O3   0.30786   0.61609   0.22691   1.00000   0.03463
O4   0.25466   0.26373   0.22602   1.00000   0.03302
Ow1   0.11233   0.38395   0.43126   1.00000   0.05260
Ow2   0.10036   0.95775   0.18169   1.00000   0.03791
Ow3   0.03025   0.79316   0.43223   1.00000   0.03415
Ow4   0.47936   0.45868   0.17967   1.00000   0.03343
Ow5   0.43178   0.28426   0.44160   1.00000   0.03549
Ow6   0.35472   0.85897   0.44106   1.00000   0.03622
Ow7   0.36367   0.00531   0.11505   1.00000   0.03607
H11   0.14590   0.25900   0.45000   1.00000   0.07300
H12   0.11830   0.43200   0.35270   1.00000   0.05700
H22   0.12350   0.82300   0.20410   1.00000   0.06500
H24   0.15490   0.04700   0.21000   1.00000   0.07300
H31   0.08780   0.87200   0.46430   1.00000   0.04700
H32  -0.01630   0.87600   0.37300   1.00000   0.08900
H43   0.41870   0.51100   0.19100   1.00000   0.06100
H47   0.53150   0.47200   0.25360   1.00000   0.05900
H54   0.37610   0.27700   0.36850   1.00000   0.06700
H57   0.40650   0.35800   0.50200   1.00000   0.09500
H61   0.30090   0.92200   0.46120   1.00000   0.05600
H63   0.33800   0.77600   0.36930   1.00000   0.06700
H74   0.31370   0.08400   0.13700   1.00000   0.08900
H76   0.33590  -0.12200   0.08000   1.00000   0.10000