data_global _chemical_name_mineral 'Moorhouseite' loop_ _publ_author_name 'Elerman Y' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 44 _journal_year 1988 _journal_page_first 599 _journal_page_last 601 _publ_section_title ; Refinement of the crystal structure of CoSO4*6H2O ; _database_code_amcsd 0010070 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Co S O10 H12' _cell_length_a 10.022 _cell_length_b 7.217 _cell_length_c 24.224 _cell_angle_alpha 90 _cell_angle_beta 98.42 _cell_angle_gamma 90 _cell_volume 1733.207 _exptl_crystal_density_diffrn 2.016 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Co1 0.00000 0.00000 0.00000 0.02080 Co2 0.00000 0.94810 0.25000 0.01790 S 0.86850 0.45200 0.12450 0.02190 O1 0.77420 0.60300 0.13490 0.02860 O2 0.98210 0.44620 0.16960 0.04280 O3 0.91640 0.49770 0.07040 0.03700 O4 0.79880 0.27290 0.11910 0.03060 O5 0.59650 0.72340 0.04520 0.03050 O6 0.53480 0.32950 0.06820 0.04290 O7 0.30800 0.55400 0.02150 0.04200 O8 0.88410 0.15750 0.28120 0.03010 O9 0.88700 0.74450 0.28200 0.03800 O10 0.85890 0.95060 0.17860 0.03770 H51 0.64100 0.69700 0.07600 0.02400 H52 0.56400 0.79500 0.05300 0.02500 H61 0.48700 0.21000 0.06400 0.02300 H62 0.58600 0.32200 0.09000 0.05100 H71 0.26700 0.50200 0.00100 0.04200 H72 0.30000 0.62300 0.04600 0.03400 H81 0.81500 0.15000 0.27000 0.07100 H82 0.90400 0.28500 0.28800 0.04100 H91 0.81200 0.71800 0.28400 0.05700 H92 0.90700 0.85000 0.29600 0.04100 H101 0.84500 0.06900 0.17200 0.02300 H102 0.79000 0.93000 0.20100 0.05600