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: mati-19 ; _database_code_amcsd 0005873 _chemical_compound_source 'Richmond mine, Iron Mountain, California' _chemical_formula_sum 'Fe1.117 Cu.45 Zn.433 S2 O22 H28' _cell_length_a 14.080 _cell_length_b 6.498 _cell_length_c 10.955 _cell_angle_alpha 90 _cell_angle_beta 105.65 _cell_angle_gamma 90 _cell_volume 965.136 _exptl_crystal_density_diffrn 1.939 _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 0.11700 ? Cu2 0.50000 0.00000 0.50000 0.45000 ? Zn2 0.50000 0.00000 0.50000 0.43300 ? S 0.77250 -0.03070 0.32440 1.00000 0.02861 O1 0.79710 -0.03140 0.46503 1.00000 0.03641 O2 0.86100 0.03900 0.28750 1.00000 0.04115 O3 0.68980 0.11150 0.27410 1.00000 0.04241 O4 0.74580 -0.23950 0.27570 1.00000 0.03928 Wat5 -0.11320 -0.11360 0.06960 1.00000 0.06032 Wat6 0.10090 -0.04350 0.18270 1.00000 0.04348 Wat7 -0.02920 0.29450 0.06920 1.00000 0.03938 Wat8 0.51980 -0.04440 0.32160 1.00000 0.04164 Wat9 0.43050 0.27670 0.44090 1.00000 0.04247 Wat10 0.35190 -0.14830 0.44080 1.00000 0.04362 Wat11 0.36520 0.00640 0.11480 1.00000 0.04324