data_global _chemical_name_mineral 'Rhomboclase' loop_ _publ_author_name 'Majzlan J' 'Navrotsky A' 'McCleskey R B' 'Alpers C N' _journal_name_full 'European Journal of Mineralogy' _journal_volume 18 _journal_year 2006 _journal_page_first 175 _journal_page_last 186 _publ_section_title ; Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 ; _database_code_amcsd 0007142 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe S2 O12 H7' _cell_length_a 9.7226 _cell_length_b 18.2800 _cell_length_c 5.4270 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 964.536 _exptl_crystal_density_diffrn 2.197 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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 Fe 0.00000 0.00000 0.00000 1.00000 0.02960 S 0.23750 0.08680 0.28490 1.00000 0.03300 O1 0.32640 0.02170 0.34300 1.00000 0.04460 O2 0.09320 0.05570 0.25300 1.00000 0.04460 O3 0.28810 0.12030 0.06300 1.00000 0.04460 O4 0.22690 0.13290 0.50500 1.00000 0.04460 Wat5 0.48840 0.08690 0.73300 0.75000 0.04460 O-H35 0.48840 0.08690 0.73300 0.25000 0.04460 Wat6 0.63180 0.25000 0.55000 0.75000 0.04460 O-H36 0.63180 0.25000 0.55000 0.25000 0.04460 Wat7 0.39160 0.25000 0.58400 0.67100 0.04460 O-H37 0.39160 0.25000 0.58400 0.22400 0.04460 Wat8 0.42800 0.25000 0.14100 0.07900 0.04460 O-H38 0.42800 0.25000 0.14100 0.02600 0.04460