data_global _chemical_name_mineral 'Arsenopyrite' loop_ _publ_author_name 'Bindi L' 'Moelo Y' 'Leone P' 'Suchaud M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 50 _journal_year 2012 _journal_page_first 471 _journal_page_last 479 _publ_section_title ; Stoichiometric arsenopyrite, FeAsS, from La Roche-Balue Quarry, Loire-Atlantique, France: Crystal structure and Mossbauer study ; _database_code_amcsd 0019195 _chemical_compound_source 'La Roche-Balue Quarry, Loire-Atlantique, France' _chemical_formula_sum 'Fe As S' _cell_length_a 5.7612 _cell_length_b 5.6841 _cell_length_c 5.7674 _cell_angle_alpha 90 _cell_angle_beta 111.721 _cell_angle_gamma 90 _cell_volume 175.456 _exptl_crystal_density_diffrn 6.164 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+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_U_iso_or_equiv Fe 0.28353 -0.00643 0.29429 0.01550 As 0.14746 0.13055 0.86937 0.01590 S 0.65510 0.13110 0.32110 0.01880 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 0.01550 0.01520 0.01590 0.00040 0.00590 0.00030 As 0.01580 0.01580 0.01620 0.00020 0.00600 -0.00020 S 0.01770 0.01880 0.02010 -0.00040 0.00720 0.00010