data_global _chemical_name_mineral 'Dimorphite' loop_ _publ_author_name 'Whitfield H J' _journal_name_full 'Journal of the Chemical Society, Dalton Transactions, Inorganic Chemistry' _journal_volume 1973 _journal_year 1973 _journal_page_first 1737 _journal_page_last 1738 _publ_section_title ; Crystal structure of the beta-form of tetraarsenic trisulphide ; _database_code_amcsd 0014106 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'As4 S3' _cell_length_a 11.21 _cell_length_b 9.90 _cell_length_c 6.58 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 730.242 _exptl_crystal_density_diffrn 3.601 _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 0.68500 0.25000 0.17410 As2 0.41450 0.25000 -0.10450 As3 0.57050 0.12470 -0.28800 S1 0.70200 0.07960 -0.04560 S2 0.48680 0.25000 0.20970 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 0.02292 0.04220 0.01426 0.00000 0.00000 -0.00231 As2 0.01464 0.03476 0.02566 0.00000 0.00000 -0.00528 As3 0.03883 0.01887 0.02062 0.00056 -0.00785 -0.00264 S1 0.02674 0.02135 0.02786 -0.01743 -0.00224 -0.00033 S2 0.00637 0.03873 0.01470 0.00000 0.00000 -0.00198