data_global _chemical_name_mineral 'Lorandite' loop_ _publ_author_name 'Balic-Zunic T' 'Makovicky E' 'Moelo Y' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen' _journal_volume 168 _journal_year 1995 _journal_page_first 213 _journal_page_last 235 _publ_section_title ; Contributions to the crystal chemistry of thallium sulphosalts III. The crystal structure of lorandite (TlAsS2) and its relation to weissbergite (TlSbS2) ; _database_code_amcsd 0014720 _chemical_compound_source 'Crven Dol, Allchar, Republic of Macedonia' _chemical_formula_sum 'Tl As S2' _cell_length_a 12.296 _cell_length_b 11.313 _cell_length_c 6.114 _cell_angle_alpha 90 _cell_angle_beta 104.21 _cell_angle_gamma 90 _cell_volume 824.463 _exptl_crystal_density_diffrn 5.534 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Tl1 0.05230 0.31210 0.16280 0.02730 Tl2 0.10110 0.05570 0.73560 0.02530 As1 0.19480 0.83510 0.22700 0.01600 As2 0.13530 0.58630 0.53400 0.01900 S1 0.12200 0.31100 0.71500 0.02000 S2 0.15100 0.55700 0.18800 0.01900 S3 0.16700 0.78800 0.57500 0.01400 S4 0.18300 0.03900 0.27100 0.02400 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 Tl1 0.02900 0.02800 0.02600 0.00300 0.00900 -0.00200 Tl2 0.02400 0.02800 0.02500 -0.00400 0.00800 -0.00200 As1 0.01400 0.01700 0.01500 0.00200 -0.00200 -0.00100 As2 0.02100 0.01300 0.02400 -0.00200 0.00600 -0.00100 S1 0.01200 0.02600 0.02700 0.00900 0.01300 0.00100 S2 0.03100 0.00900 0.01100 0.00800 -0.00600 -0.00200 S3 0.00600 0.02200 0.01700 -0.00200 0.01000 -0.00200 S4 0.02300 0.01400 0.03000 0.00500 -0.00500 0.00500