data_global _chemical_name_mineral 'Chalcostibite' loop_ _publ_author_name 'Kyono A' 'Kimata M' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 162 _journal_page_last 165 _publ_section_title ; Crystal structures of chalcostibite (CuSbS2) and emplectite (CuBiS2): Structural relationship of stereochemical activity between chalcostibite and emplectite ; _database_code_amcsd 0003673 _chemical_formula_sum 'Cu Sb S2' _cell_length_a 6.018 _cell_length_b 3.7958 _cell_length_c 14.495 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 331.111 _exptl_crystal_density_diffrn 5.004 _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_U_iso_or_equiv Cu 0.74780 0.75000 0.17240 0.03000 Sb 0.22600 0.25000 0.06333 0.02410 S1 0.62210 0.25000 0.09500 0.02290 S2 0.12940 0.75000 0.17560 0.02310 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 Cu 0.03080 0.03120 0.02810 0.00000 0.00100 0.00000 Sb 0.02490 0.02430 0.02290 0.00000 -0.00110 0.00000 S1 0.02220 0.02420 0.02250 0.00000 0.00040 0.00000 S2 0.02510 0.02450 0.01970 0.00000 -0.00010 0.00000