data_global _chemical_name_mineral 'Paradimorphite' loop_ _publ_author_name 'Whitfield H J' _journal_name_full 'Journal of the Chemical Society A: Inorganic, Physical, Theoretical' _journal_volume 1970 _journal_year 1970 _journal_page_first 1800 _journal_page_last 1803 _publ_section_title ; The crystal structure of tetra-arsenic trisulfide Note: "alpha-dimorphite" ; _database_code_amcsd 0014104 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'As4 S3' _cell_length_a 9.12 _cell_length_b 7.99 _cell_length_c 10.10 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 735.975 _exptl_crystal_density_diffrn 3.573 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z As1 0.34250 0.25000 0.44130 As2 -0.01880 0.25000 0.56970 As3 0.14660 0.09660 0.71620 S1 0.33260 0.04020 0.58510 S2 0.10790 0.25000 0.38300 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 As1 0.01264 0.03202 0.02481 0.00000 0.00887 0.00000 As2 0.00169 0.03622 0.03979 0.00000 -0.00607 0.00000 As3 0.01306 0.03816 0.03049 -0.00111 0.00420 0.02003 S1 0.01854 0.02102 0.03514 0.01698 0.00140 0.00818 S2 0.01812 0.01197 0.01550 0.00000 0.00980 0.00000