data_1011056 _chemical_name_systematic 'Cobalt dicobalt(III) sulfide' _chemical_name_mineral 'Linnaeite' _chemical_compound_source 'from Schwabengrube, Muesen, Germany' _chemical_formula_structural 'Co3 S4' _chemical_formula_sum 'Co3 S4' _publ_section_title ; Ueber die Kristallstruktur von Linneit einschliesslich Polydymit und Sychnodymit. ; _publ_author_name 'Menzer, G' _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_coden_ASTM ZEKGAX _journal_volume 64 _journal_year 1926 _journal_page_first 506 _journal_page_last 507 _cell_length_a 9.416(7) _cell_length_b 9.416(7) _cell_length_c 9.416(7) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 834.8 _cell_formula_units_Z 8 _exptl_crystal_density_meas 4.65 _symmetry_space_group_name_H-M 'F d -3 m S' _symmetry_Int_Tables_number 227 _symmetry_cell_setting cubic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'y,z,x' 'z,x,y' 'x,z,y' 'y,x,z' 'z,y,x' 'x,-y,-z' 'y,-z,-x' 'z,-x,-y' 'x,-z,-y' 'y,-x,-z' 'z,-y,-x' '-x,y,-z' '-y,z,-x' '-z,x,-y' '-x,z,-y' '-y,x,-z' '-z,y,-x' '-x,-y,z' '-y,-z,x' '-z,-x,y' '-x,-z,y' '-y,-x,z' '-z,-y,x' '1/4-x,1/4-y,1/4-z' '1/4-y,1/4-z,1/4-x' '1/4-z,1/4-x,1/4-y' '1/4-x,1/4-z,1/4-y' '1/4-y,1/4-x,1/4-z' '1/4-z,1/4-y,1/4-x' '1/4-x,1/4+y,1/4+z' '1/4-y,1/4+z,1/4+x' '1/4-z,1/4+x,1/4+y' '1/4-x,1/4+z,1/4+y' '1/4-y,1/4+x,1/4+z' '1/4-z,1/4+y,1/4+x' '1/4+x,1/4-y,1/4+z' '1/4+y,1/4-z,1/4+x' '1/4+z,1/4-x,1/4+y' '1/4+x,1/4-z,1/4+y' '1/4+y,1/4-x,1/4+z' '1/4+z,1/4-y,1/4+x' '1/4+x,1/4+y,1/4-z' '1/4+y,1/4+z,1/4-x' '1/4+z,1/4+x,1/4-y' '1/4+x,1/4+z,1/4-y' '1/4+y,1/4+x,1/4-z' '1/4+z,1/4+y,1/4-x' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' 'y,1/2+z,1/2+x' '1/2+y,z,1/2+x' '1/2+y,1/2+z,x' 'z,1/2+x,1/2+y' '1/2+z,x,1/2+y' '1/2+z,1/2+x,y' 'x,1/2+z,1/2+y' '1/2+x,z,1/2+y' '1/2+x,1/2+z,y' 'y,1/2+x,1/2+z' '1/2+y,x,1/2+z' '1/2+y,1/2+x,z' 'z,1/2+y,1/2+x' '1/2+z,y,1/2+x' '1/2+z,1/2+y,x' 'x,1/2-y,1/2-z' '1/2+x,-y,1/2-z' '1/2+x,1/2-y,-z' 'y,1/2-z,1/2-x' '1/2+y,-z,1/2-x' '1/2+y,1/2-z,-x' 'z,1/2-x,1/2-y' '1/2+z,-x,1/2-y' '1/2+z,1/2-x,-y' 'x,1/2-z,1/2-y' '1/2+x,-z,1/2-y' '1/2+x,1/2-z,-y' 'y,1/2-x,1/2-z' '1/2+y,-x,1/2-z' '1/2+y,1/2-x,-z' 'z,1/2-y,1/2-x' '1/2+z,-y,1/2-x' '1/2+z,1/2-y,-x' '-x,1/2+y,1/2-z' '1/2-x,y,1/2-z' '1/2-x,1/2+y,-z' '-y,1/2+z,1/2-x' '1/2-y,z,1/2-x' '1/2-y,1/2+z,-x' '-z,1/2+x,1/2-y' '1/2-z,x,1/2-y' '1/2-z,1/2+x,-y' '-x,1/2+z,1/2-y' '1/2-x,z,1/2-y' '1/2-x,1/2+z,-y' '-y,1/2+x,1/2-z' '1/2-y,x,1/2-z' '1/2-y,1/2+x,-z' '-z,1/2+y,1/2-x' '1/2-z,y,1/2-x' '1/2-z,1/2+y,-x' '-x,1/2-y,1/2+z' '1/2-x,-y,1/2+z' '1/2-x,1/2-y,z' '-y,1/2-z,1/2+x' '1/2-y,-z,1/2+x' '1/2-y,1/2-z,x' '-z,1/2-x,1/2+y' '1/2-z,-x,1/2+y' '1/2-z,1/2-x,y' '-x,1/2-z,1/2+y' '1/2-x,-z,1/2+y' '1/2-x,1/2-z,y' '-y,1/2-x,1/2+z' '1/2-y,-x,1/2+z' '1/2-y,1/2-x,z' '-z,1/2-y,1/2+x' '1/2-z,-y,1/2+x' '1/2-z,1/2-y,x' '1/4-x,3/4-y,3/4-z' '3/4-x,1/4-y,3/4-z' '3/4-x,3/4-y,1/4-z' '1/4-y,3/4-z,3/4-x' '3/4-y,1/4-z,3/4-x' '3/4-y,3/4-z,1/4-x' '1/4-z,3/4-x,3/4-y' '3/4-z,1/4-x,3/4-y' '3/4-z,3/4-x,1/4-y' '1/4-x,3/4-z,3/4-y' '3/4-x,1/4-z,3/4-y' '3/4-x,3/4-z,1/4-y' '1/4-y,3/4-x,3/4-z' '3/4-y,1/4-x,3/4-z' '3/4-y,3/4-x,1/4-z' '1/4-z,3/4-y,3/4-x' '3/4-z,1/4-y,3/4-x' '3/4-z,3/4-y,1/4-x' '1/4-x,3/4+y,3/4+z' '3/4-x,1/4+y,3/4+z' '3/4-x,3/4+y,1/4+z' '1/4-y,3/4+z,3/4+x' '3/4-y,1/4+z,3/4+x' '3/4-y,3/4+z,1/4+x' '1/4-z,3/4+x,3/4+y' '3/4-z,1/4+x,3/4+y' '3/4-z,3/4+x,1/4+y' '1/4-x,3/4+z,3/4+y' '3/4-x,1/4+z,3/4+y' '3/4-x,3/4+z,1/4+y' '1/4-y,3/4+x,3/4+z' '3/4-y,1/4+x,3/4+z' '3/4-y,3/4+x,1/4+z' '1/4-z,3/4+y,3/4+x' '3/4-z,1/4+y,3/4+x' '3/4-z,3/4+y,1/4+x' '1/4+x,3/4-y,3/4+z' '3/4+x,1/4-y,3/4+z' '3/4+x,3/4-y,1/4+z' '1/4+y,3/4-z,3/4+x' '3/4+y,1/4-z,3/4+x' '3/4+y,3/4-z,1/4+x' '1/4+z,3/4-x,3/4+y' '3/4+z,1/4-x,3/4+y' '3/4+z,3/4-x,1/4+y' '1/4+x,3/4-z,3/4+y' '3/4+x,1/4-z,3/4+y' '3/4+x,3/4-z,1/4+y' '1/4+y,3/4-x,3/4+z' '3/4+y,1/4-x,3/4+z' '3/4+y,3/4-x,1/4+z' '1/4+z,3/4-y,3/4+x' '3/4+z,1/4-y,3/4+x' '3/4+z,3/4-y,1/4+x' '1/4+x,3/4+y,3/4-z' '3/4+x,1/4+y,3/4-z' '3/4+x,3/4+y,1/4-z' '1/4+y,3/4+z,3/4-x' '3/4+y,1/4+z,3/4-x' '3/4+y,3/4+z,1/4-x' '1/4+z,3/4+x,3/4-y' '3/4+z,1/4+x,3/4-y' '3/4+z,3/4+x,1/4-y' '1/4+x,3/4+z,3/4-y' '3/4+x,1/4+z,3/4-y' '3/4+x,3/4+z,1/4-y' '1/4+y,3/4+x,3/4-z' '3/4+y,1/4+x,3/4-z' '3/4+y,3/4+x,1/4-z' '1/4+z,3/4+y,3/4-x' '3/4+z,1/4+y,3/4-x' '3/4+z,3/4+y,1/4-x' loop_ _atom_type_symbol _atom_type_oxidation_number Co2+ 2.000 Co3+ 3.000 S2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Co1 Co2+ 8 a 0. 0. 0. 1. 0 d Co2 Co3+ 16 d 0.125 0.375 0.875 1. 0 d S1 S2- 32 e 0.375(15) 0.375(15) 0.375(15) 1. 0 d