data_global _chemical_name_mineral 'Hydroniumpharmacosiderite' loop_ _publ_author_name 'Mills S J' 'Kampf A R' 'Williams P A' 'Leverett P' 'Poirier G' 'Raudsepp M' 'Francis C A' _journal_name_full 'Mineralogical Magazine' _journal_volume 74 _journal_year 2010 _journal_page_first 863 _journal_page_last 869 _publ_section_title ; Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup from Cornwall, UK: structure and description ; _database_code_amcsd 0017882 _chemical_compound_source 'Cornwall, UK' _chemical_formula_sum 'K.39 Fe4 As3 O19.1 H10.8' _cell_length_a 7.9587 _cell_length_b 7.9587 _cell_length_c 7.9587 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 504.111 _exptl_crystal_density_diffrn 2.569 _symmetry_space_group_name_H-M 'P -4 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-z,x,-y' '-y,z,-x' '-x,y,-z' 'x,-z,-y' 'z,-y,-x' 'y,-x,-z' 'x,z,y' 'z,y,x' 'y,x,z' '-z,-x,y' '-y,-z,x' '-x,-y,z' 'z,-x,-y' 'y,-z,-x' 'x,-y,-z' '-x,z,-y' '-z,y,-x' '-y,x,-z' '-x,-z,y' '-z,-y,x' '-y,-x,z' 'z,x,y' 'y,z,x' 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 K 0.50000 0.00000 0.50000 0.13000 0.04600 Fe 0.14345 0.14345 0.14345 1.00000 0.01230 As 0.50000 0.00000 0.00000 1.00000 0.02080 O1 0.12450 0.12450 0.38370 1.00000 0.02650 O2 0.88570 0.88570 0.88570 1.00000 0.01160 Wat3 0.50000 0.10600 0.50000 0.25000 0.05000 Wat4 0.69300 0.69300 0.69300 0.25000 0.04700 H3O4 0.69300 0.69300 0.69300 0.45000 0.04700 O4 0.69300 0.69300 0.69300 0.15000 0.04700 H2 0.82830 0.82830 0.82830 1.00000 0.01400 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Fe 0.01230 0.01230 0.01230 -0.00160 -0.00160 -0.00160 As 0.00700 0.02770 0.02770 0.00000 0.00000 0.00000 O1 0.03380 0.03380 0.01180 -0.00800 -0.00040 -0.00040 O2 0.01160 0.01160 0.01160 -0.00230 -0.00230 -0.00230