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: m2
;
_database_code_amcsd 0005870
_chemical_compound_source 'Richmond mine, Iron Mountain, California'
_chemical_formula_sum 'Fe1.303 Cu.172 Zn.525 S2 O22 H28'
_cell_length_a 14.081
_cell_length_b 6.510
_cell_length_c 10.997
_cell_angle_alpha 90
_cell_angle_beta 105.63
_cell_angle_gamma 90
_cell_volume 970.789
_exptl_crystal_density_diffrn      1.924
_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
Fe1   0.00000   0.00000   0.00000   1.00000 ?
Fe2   0.50000   0.00000   0.50000   0.30340 ?
Cu2   0.50000   0.00000   0.50000   0.17200 ?
Zn2   0.50000   0.00000   0.50000   0.52460 ?
S   0.77270  -0.02940   0.32410   1.00000   0.02999
O1   0.79580  -0.02970   0.46370   1.00000   0.03869
O2   0.86140   0.03870   0.28740   1.00000   0.04355
O3   0.69000   0.11210   0.27250   1.00000   0.04419
O4   0.74520  -0.23860   0.27370   1.00000   0.04440
Wat5  -0.11230  -0.11670   0.07020   1.00000   0.06171
Wat6   0.10110  -0.04370   0.18220   1.00000   0.04432
Wat7  -0.02900   0.29610   0.06830   1.00000   0.04278
Wat8   0.51950  -0.04230   0.32030   1.00000   0.04209
Wat9   0.43080   0.28170   0.44160   1.00000   0.04412
Wat10   0.35280  -0.14520   0.44020   1.00000   0.04497
Wat11   0.36490   0.00550   0.11520   1.00000   0.04456