data_global _chemical_name_mineral 'Glaucodot' loop_ _publ_author_name 'Yang H' 'Downs R T' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1183 _journal_page_last 1186 _publ_section_title ; Crystal structure of glaucodot, (Co,Fe)AsS, and its relationships to marcasite and arsenopyrite ; _database_code_amcsd 0004616 _chemical_compound_source 'Hakansboda, Lindesberg, Vastmanland, Sweden' _chemical_formula_sum 'Co1.5 Fe1.5 As3 S3' _cell_length_a 14.158 _cell_length_b 5.6462 _cell_length_c 3.3196 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 265.365 _exptl_crystal_density_diffrn 6.172 _symmetry_space_group_name_H-M 'P n 21 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2+z' 'x,y,-z' '-x,1/2+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 CoM1 0.08670 0.68310 0.00000 1.00000 0.00970 CoM2 0.25240 0.20420 0.50000 0.50000 0.00780 FeM2 0.25240 0.20420 0.50000 0.50000 0.00780 FeM3 0.41960 0.68360 0.00000 1.00000 0.00480 As1 -0.02150 0.55740 0.50000 1.00000 0.00650 As2 0.19050 0.82280 0.50000 1.00000 0.00640 As3 0.35330 0.06360 0.00000 1.00000 0.00600 S1 0.14950 0.32060 0.00000 1.00000 0.00700 S2 0.31970 0.56670 0.50000 1.00000 0.00420 S3 0.48430 0.31260 0.00000 1.00000 0.00480 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 CoM1 0.00410 0.00420 0.02090 -0.00040 0.00000 0.00000 CoM2 0.00510 0.00180 0.01650 -0.00040 0.00000 0.00000 FeM2 0.00510 0.00180 0.01650 -0.00040 0.00000 0.00000 FeM3 0.00350 0.00410 0.00690 -0.00060 0.00000 0.00000 As1 0.00850 0.00380 0.00730 0.00030 0.00000 0.00000 As2 0.00840 0.00380 0.00710 0.00010 0.00000 0.00000 As3 0.00640 0.00450 0.00710 -0.00130 0.00000 0.00000 S1 0.00810 0.00600 0.00700 -0.00110 0.00000 0.00000 S2 0.00580 0.00230 0.00460 0.00000 0.00000 0.00000 S3 0.00580 0.00370 0.00500 0.00110 0.00000 0.00000