data_global _chemical_name_mineral 'Emplectite' 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 0003674 _chemical_formula_sum 'Cu Bi S2' _cell_length_a 6.134 _cell_length_b 3.9111 _cell_length_c 14.548 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 349.017 _exptl_crystal_density_diffrn 6.407 _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 0.75080 0.75000 0.17210 0.03220 Bi 0.23150 0.25000 0.06294 0.02710 S1 0.63530 0.25000 0.09760 0.02710 S2 0.12610 0.75000 0.17740 0.02630 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 0.02740 0.03540 0.03380 0.00000 0.00060 0.00000 Bi 0.02500 0.02700 0.02930 0.00000 -0.00090 0.00000 S1 0.02680 0.02730 0.02710 0.00000 0.00270 0.00000 S2 0.02250 0.02710 0.02920 0.00000 -0.00040 0.00000