data_global
_chemical_name_mineral 'Pentahydrite'
loop_
_publ_author_name
'Peterson R C'
'Hammarstrom J M'
'Seal R R'
_journal_name_full 'American Mineralogist'
_journal_volume 91 
_journal_year 2006
_journal_page_first 261
_journal_page_last 269
_publ_section_title
;
 Alpersite (Mg,Cu)SO4*7H2O, a new mineral of the melanterite group, and cuprian
 pentahydrite: Their occurrence within mine waste
;
_database_code_amcsd 0004016
_chemical_compound_source 'Big Mike mine, Nevada, USA'
_chemical_formula_sum '(Mg.45 Cu.55) S O9 H10'
_cell_length_a 6.2490
_cell_length_b 10.5846
_cell_length_c 6.0384
_cell_angle_alpha 82.461
_cell_angle_beta 109.433
_cell_angle_gamma 104.805
_cell_volume 363.674
_exptl_crystal_density_diffrn      2.119
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
Mg1   0.00000   0.00000   0.00000   0.20000   0.04900
Cu1   0.00000   0.00000   0.00000   0.80000   0.04900
Mg2   0.50000   0.50000   0.00000   0.70000   0.04800
Cu2   0.50000   0.50000   0.00000   0.30000   0.04800
S   0.03630   0.28840   0.63920   1.00000   0.03600
O1   0.91000   0.16010   0.66900   1.00000   0.03700
O2   0.26100   0.32320   0.84200   1.00000   0.03700
O3   0.87200   0.37150   0.63800   1.00000   0.03700
O4   0.05100   0.29810   0.40800   1.00000   0.03700
Wat1   0.82000   0.06830   0.17300   1.00000   0.03700
Wat2   0.31400   0.11720   0.17400   1.00000   0.03700
Wat3   0.53000   0.59590   0.67200   1.00000   0.03700
Wat4   0.23200   0.59130   0.98100   1.00000   0.03700
Wat5   0.45300   0.12760   0.64800   1.00000   0.03700