data_global
_chemical_name_mineral 'Melanterite'
loop_
_publ_author_name
'Peterson R C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 41 
_journal_year 2003
_journal_page_first 937
_journal_page_last 949
_publ_section_title
;
 The relatinship between Cu content and distortion in the atomic structure
 of melanterite from the Richmond mine, Iron Mountain, California
 Sample: melant8
 Locality: Richmond mine, Iron Mountain, California
;
_chemical_formula_sum 'Fe S O11 H14'
_cell_length_a 14.04
_cell_length_b 6.502
_cell_length_c 10.952
_cell_angle_alpha 90
_cell_angle_beta 105.81
_cell_angle_gamma 90
_cell_volume 961.966
_exptl_crystal_density_diffrn      1.920
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_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_U_iso_or_equiv
Fe1   0.00000   0.00000   0.00000 ?
Fe2   0.50000   0.00000   0.50000 ?
S   0.77320  -0.02890   0.32370   0.01930
O1   0.79600  -0.02930   0.46380   0.02900
O2   0.86340   0.03680   0.28910   0.03035
O3   0.69180   0.11600   0.27270   0.03138
O4   0.74470  -0.23600   0.27360   0.03329
Wat5  -0.11170  -0.11700   0.06880   0.05241
Wat6   0.10080  -0.04430   0.18300   0.03382
Wat7  -0.03060   0.29640   0.06790   0.03003
Wat8   0.51980  -0.04270   0.31930   0.03190
Wat9   0.43110   0.28620   0.44110   0.03301
Wat10   0.35340  -0.14070   0.44010   0.03317
Wat11   0.36320   0.00560   0.11480   0.03638

