data_global _chemical_name_mineral 'Wroewolfeite' loop_ _publ_author_name 'Hawthorne F C' 'Groat L A' _journal_name_full 'American Mineralogist' _journal_volume 70 _journal_year 1985 _journal_page_first 1050 _journal_page_last 1055 _publ_section_title ; The crystal structure of wroewolfeite, a mineral with [Cu4(OH)6(SO4)(H2O)] sheets ; _database_code_amcsd 0001001 _chemical_formula_sum 'Cu4 S O12 H10' _cell_length_a 6.045 _cell_length_b 5.646 _cell_length_c 14.337 _cell_angle_alpha 90 _cell_angle_beta 93.39 _cell_angle_gamma 90 _cell_volume 488.467 _exptl_crystal_density_diffrn 3.320 _symmetry_space_group_name_H-M 'P 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cu1 0.00000 0.33110 0.25000 0.00910 Cu2 0.50200 0.32120 0.25010 0.01010 Cu3 -0.24760 -0.16820 0.24280 0.01020 Cu4 0.24740 0.17340 -0.25720 0.01080 S -0.07980 0.03580 0.03520 0.01430 O1 -0.02610 0.00980 0.13760 0.01400 O2 0.12790 0.00120 -0.01320 0.02500 O3 -0.16070 0.28110 0.01540 0.01800 O4 -0.24430 -0.13310 0.00520 0.02900 O-H5 0.25250 0.49910 0.19320 0.00800 O-H6 0.25230 0.14010 0.30520 0.00900 O-H7 0.00630 -0.28450 0.31530 0.00900 O-H8 0.74060 0.50730 0.18940 0.00600 O-H9 0.75770 0.14700 0.30760 0.01100 O-H10 0.48910 -0.05810 0.17530 0.00600 Wat11 0.51010 0.62300 0.37380 0.02100 Wat12 0.22400 0.46380 -0.49640 0.02400