data_global _chemical_name_mineral 'Livingstonite' loop_ _publ_author_name 'Srikrishnan T' 'Nowacki W' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 141 _journal_year 1975 _journal_page_first 174 _journal_page_last 192 _publ_section_title ; A redetermination of the crystal structure of livingstonite, HgSb4S8 ; _database_code_amcsd 0010773 _chemical_compound_source 'Huitzuco, Guerrero, Mexico' _chemical_formula_sum 'Hg Sb4 S8' _cell_length_a 30.567 _cell_length_b 4.015 _cell_length_c 21.465 _cell_angle_alpha 90 _cell_angle_beta 103.39 _cell_angle_gamma 90 _cell_volume 2562.714 _exptl_crystal_density_diffrn 4.894 _symmetry_space_group_name_H-M 'A 1 2/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,-y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,y,-z' '1/2-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 Hg1 0.00000 0.50000 0.00000 Hg2 0.25000 0.00890 0.00000 Sb1 0.03950 0.06280 0.21150 Sb2 0.12440 0.05630 0.07790 Sb3 0.13550 0.05860 0.42810 Sb4 0.20570 0.10910 0.28470 S1 0.01480 0.00500 0.31690 S2 0.06420 0.51700 0.09790 S3 0.07570 0.51600 0.46250 S4 0.10770 0.50100 0.28810 S5 0.15270 0.51100 0.23000 S6 0.16980 0.52000 0.03520 S7 0.20600 0.51200 0.42160 S8 0.21770 0.02400 0.17950 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 0.08422 0.07023 0.06693 0.00121 0.02045 -0.00319 Hg2 0.07929 0.06615 0.05876 0.00000 0.01887 0.00000 Sb1 0.06271 0.07023 0.05059 -0.00544 0.02202 0.00064 Sb2 0.06003 0.06778 0.04418 -0.01573 0.01730 -0.00871 Sb3 0.05599 0.06533 0.04794 -0.01240 0.01573 -0.00616 Sb4 0.08287 0.06370 0.05036 0.01694 0.02674 0.00552 S1 0.04480 0.03185 0.05081 0.01815 0.04089 0.01487 S2 0.01344 0.03022 0.02209 -0.00907 -0.00472 -0.00425 S3 0.06719 0.03185 0.02430 -0.02117 0.02359 -0.01062 S4 0.02240 0.05717 0.02209 -0.00302 0.00315 0.00849 S5 0.05823 0.02123 0.01104 0.00605 -0.02045 -0.00425 S6 0.06719 0.05227 0.10824 -0.03024 0.03932 -0.00849 S7 0.15679 0.00163 0.07952 -0.01210 0.08179 -0.00637 S8 0.01792 0.05962 0.05302 -0.00302 0.01887 -0.01062