data_global _chemical_name_mineral 'Christite' loop_ _publ_author_name 'Brown K L' 'Dickson F W' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 144 _journal_year 1976 _journal_page_first 367 _journal_page_last 376 _publ_section_title ; The crystal structure of synthetic christite, HgTlAsS3 ; _database_code_amcsd 0010787 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Tl Hg As S3' _cell_length_a 6.113 _cell_length_b 16.188 _cell_length_c 6.111 _cell_angle_alpha 90 _cell_angle_beta 96.71 _cell_angle_gamma 90 _cell_volume 600.585 _exptl_crystal_density_diffrn 6.371 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Tl 0.16330 0.45039 0.33660 Hg 0.07930 0.25013 0.92070 As 0.57590 0.39160 0.92540 S1 0.20460 0.39170 0.85870 S2 0.14190 0.24080 0.35590 S3 0.14210 0.10770 0.79620 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 Tl 0.02790 0.03820 0.03500 0.00250 0.00730 -0.00380 Hg 0.03030 0.02940 0.04070 -0.00330 0.00010 -0.00270 As 0.01950 0.02210 0.03090 -0.00180 0.00590 0.00220 S1 0.01800 0.03200 0.02900 0.00200 -0.00500 -0.00300 S2 0.01900 0.03100 0.02400 -0.00400 0.00200 0.00400 S3 0.01900 0.02200 0.03300 0.00100 -0.00100 0.00200