data_global _chemical_name_mineral 'Xanthoconite' loop_ _publ_author_name 'Engel P' 'Nowacki W' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 24 _journal_year 1968 _journal_page_first 77 _journal_page_last 81 _publ_section_title ; Die kristallstruktur von Ag3AsS3 ; _database_code_amcsd 0009336 _chemical_formula_sum 'Ag3 As S3' _cell_length_a 12.00 _cell_length_b 6.26 _cell_length_c 17.08 _cell_angle_alpha 90 _cell_angle_beta 110.00 _cell_angle_gamma 90 _cell_volume 1205.672 _exptl_crystal_density_diffrn 5.451 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ag1 0.14140 0.03470 0.21600 Ag2 0.06320 0.94020 0.43860 Ag3 0.36090 0.04570 0.13700 As 0.35730 0.05530 0.42920 S1 0.15420 0.19430 0.08420 S2 0.42400 0.14270 0.32720 S3 0.16550 0.14480 0.35880 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 Ag1 0.06184 0.06333 0.03654 -0.00447 0.01421 -0.00509 Ag2 0.05282 0.06134 0.04568 -0.01019 0.01329 0.01120 Ag3 0.03994 0.04129 0.08744 0.00089 0.01238 -0.00025 As 0.02834 0.02442 0.02610 -0.00161 0.00413 -0.00102 S1 0.02383 0.02541 0.02480 -0.00536 0.00367 -0.00025 S2 0.02963 0.03037 0.02610 0.00143 0.00734 0.00534 S3 0.01804 0.02561 0.02349 -0.00054 0.00413 0.00153