data_global _chemical_name_mineral 'Manganoquadratite' loop_ _publ_author_name 'Bonazzi P' 'Keutsch F N' 'Bindi L' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 1199 _journal_page_last 1205 _publ_section_title ; Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua polymetallic deposit, Lima Department, Peru: Description and crystal structure ; _database_code_amcsd 0019063 _chemical_compound_source 'Uchucchacua polymetallic deposit, Lima Department, Peru' _chemical_formula_sum 'Ag Mn As S3' _cell_length_a 5.4496 _cell_length_b 5.4496 _cell_length_c 32.949 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 978.524 _exptl_crystal_density_diffrn 4.533 _symmetry_space_group_name_H-M 'P 43 2 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,1/4-z' '-y,x,3/4+z' '-x,y,-z' '-x,-y,1/2+z' '-y,-x,3/4-z' 'y,-x,1/4+z' 'x,-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ag 0.73660 0.23440 0.03502 1.00000 0.03530 Mn1 0.21530 0.21530 0.12500 1.00000 0.02300 Mn2 0.71050 0.71050 0.12500 1.00000 0.02700 As 0.23810 0.73800 0.04808 0.81000 0.02090 AsSb 0.23810 0.73800 0.04808 0.19000 0.02090 S1 0.19590 0.70020 0.11962 1.00000 0.02520 S2 0.66710 0.70900 0.04910 1.00000 0.03000 S3 0.21100 0.16330 0.04770 1.00000 0.02900 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 Ag 0.03500 0.03400 0.03730 -0.00370 0.00890 -0.00710 Mn1 0.02700 0.02700 0.01200 0.00600 0.00160 -0.00160 Mn2 0.03200 0.03200 0.01600 -0.00200 -0.00100 0.00100 As 0.01730 0.02500 0.02070 -0.00470 0.00370 -0.00140 AsSb 0.01730 0.02500 0.02070 -0.00470 0.00370 -0.00140 S1 0.02600 0.03400 0.01400 -0.00700 0.00600 0.00200 S2 0.02500 0.04600 0.01800 -0.00600 0.00100 0.00100 S3 0.04200 0.02400 0.02000 -0.00500 -0.00100 0.00100