data_global _chemical_name_mineral 'Enargite' loop_ _publ_author_name 'Henao J A' 'Diaz de Delgado G' 'Delgado J M' 'Castrillo F J' 'Odreman O' _journal_name_full 'Materials Research Bulletin' _journal_volume 29 _journal_year 1994 _journal_page_first 1121 _journal_page_last 1127 _publ_section_title ; Single-crystal structure refinement of enargite [Cu3AsS4] Note z-coordinate of S1 changed from .4592 to match reported bond lengths ; _database_code_amcsd 0014370 _chemical_compound_source 'mines of Bailadores in Merida, Venezuela' _chemical_formula_sum 'Cu3 As S4' _cell_length_a 7.426 _cell_length_b 6.4521 _cell_length_c 6.1631 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 295.294 _exptl_crystal_density_diffrn 4.429 _symmetry_space_group_name_H-M 'P m n 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,1/2+z' '-x,y,z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cu1 0.00000 0.15460 0.49960 0.02216 Cu2 0.24800 0.32590 0.00770 0.02166 As 0.00000 0.82790 0.00000 0.01115 S1 0.00000 0.82340 0.35920 0.01279 S2 0.00000 0.14960 0.87500 0.01431 S3 0.25570 0.33480 0.37950 0.01431 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 Cu1 0.02310 0.02280 0.02070 0.00000 0.00000 -0.00250 Cu2 0.02200 0.02150 0.02140 0.00180 0.00070 -0.00160 As 0.01050 0.01140 0.01130 0.00000 0.00000 -0.00030 S1 0.01390 0.01420 0.01040 0.00000 0.00000 -0.00140 S2 0.01420 0.01230 0.01620 0.00000 0.00000 -0.00010 S3 0.01260 0.01410 0.01580 0.00070 -0.00040 -0.00070