data_global _chemical_name_mineral 'Xanthoconite' loop_ _publ_author_name 'Rosenstingl J' 'Pertlik F' _journal_name_full 'Mitteilungen der Osterreichischen Mineralogischen Gesellschaft' _journal_volume 138 _journal_year 1993 _journal_page_first 9 _journal_page_last 16 _publ_section_title ; Neuberechnung der kristallstruktur von naturlichem und synthetischem monoklinen Ag3AsS3 (= xanthokon) nebst einer diskussion zur symmetrie ; _database_code_amcsd 0014651 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ag3 As S3' _cell_length_a 12.02 _cell_length_b 6.262 _cell_length_c 17.08 _cell_angle_alpha 90 _cell_angle_beta 110.9 _cell_angle_gamma 90 _cell_volume 1201.012 _exptl_crystal_density_diffrn 5.472 _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 0.14210 0.03290 0.21710 Ag2 0.06410 0.94030 0.43880 Ag3 0.36030 0.04630 0.13730 As 0.35770 0.05590 0.42880 S1 0.15350 0.19340 0.08460 S2 0.42550 0.13990 0.32580 S3 0.16580 0.14360 0.35990 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 0.06900 0.07940 0.03990 -0.00270 0.00640 -0.00920 Ag2 0.05100 0.07490 0.04940 -0.00640 0.00550 0.01410 Ag3 0.03460 0.04010 0.13500 -0.00020 0.00080 -0.00110 As 0.02510 0.02260 0.02790 -0.00090 0.00340 -0.00160 S1 0.02810 0.02100 0.03760 -0.00110 0.00020 -0.00250 S2 0.02920 0.03620 0.03600 0.00010 0.00030 0.00130 S3 0.02530 0.02300 0.03880 0.00140 0.00490 0.00080