data_global _chemical_name_mineral 'Radtkeite' loop_ _publ_author_name 'Pervukhina N V' 'Vasil'ev V I' 'Naumov D Y' 'Borisov S V' 'Magarill S A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 42 _journal_year 2004 _journal_page_first 87 _journal_page_last 94 _publ_section_title ; The crystal structure of synthetic radtkeite, Hg3S2ClI ; _database_code_amcsd 0005926 _chemical_formula_sum 'Hg3 S2 I Cl' _cell_length_a 16.827 _cell_length_b 9.117 _cell_length_c 13.165 _cell_angle_alpha 90 _cell_angle_beta 130.17 _cell_angle_gamma 90 _cell_volume 1543.295 _exptl_crystal_density_diffrn 7.129 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-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 Hg1 0.00000 0.22700 -0.50000 Hg2 0.15100 0.50000 -0.25350 Hg3 -0.25000 0.25000 -0.50000 Hg4 -0.14050 0.50000 -0.23420 Hg5 0.02480 0.21600 -0.20480 S1 -0.14750 0.23310 -0.26880 S2 0.12340 0.23150 -0.27820 I1 -0.12450 0.50000 0.01260 I2 -0.39360 0.00000 -0.52690 Cl1 0.11260 0.00000 -0.01010 Cl2 0.12990 0.00000 -0.51620 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 Hg1 0.02700 0.02400 0.02600 0.00000 0.01700 0.00000 Hg2 0.03300 0.03100 0.03000 0.00000 0.02000 0.00000 Hg3 0.02800 0.03100 0.02900 -0.00100 0.01900 -0.00100 Hg4 0.04500 0.04000 0.04500 0.00000 0.03100 0.00000 Hg5 0.04500 0.04700 0.04600 0.00000 0.02900 0.00000 S1 0.02100 0.01800 0.03000 0.00300 0.01600 0.00300 S2 0.02400 0.03200 0.02900 0.00400 0.01600 -0.00100 I1 0.03300 0.03500 0.03300 0.00000 0.02000 0.00000 I2 0.04000 0.03200 0.04100 0.00000 0.02700 0.00000 Cl1 0.04200 0.02600 0.03000 0.00000 0.02800 0.00000 Cl2 0.03700 0.04200 0.04000 0.00000 0.03100 0.00000