data_global _amcsd_formula_title 'As4S5' loop_ _publ_author_name 'Bindi L' 'Bonazzi P' _journal_name_full 'American Mineralogist' _journal_volume 92 _journal_year 2007 _journal_page_first 617 _journal_page_last 620 _publ_section_title ; Light-induced alteration of arsenic sulfides: A new product having an orthorhombic crystal structure ; _database_code_amcsd 0004312 _chemical_formula_sum 'As4 S4.93' _cell_length_a 19.352 _cell_length_b 10.166 _cell_length_c 8.697 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1710.982 _exptl_crystal_density_diffrn 3.554 _symmetry_space_group_name_H-M 'P c c n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-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_occupancy _atom_site_U_iso_or_equiv As1 0.06840 0.86190 0.10300 1.00000 0.11400 As2 0.03600 0.02830 0.30300 1.00000 0.11100 As3 0.19950 0.90920 0.34480 1.00000 0.10300 As4 0.15840 0.16060 0.04340 1.00000 0.07400 S1 0.07160 0.21400 0.20200 1.00000 0.09200 S2 0.10660 0.51000 0.43000 1.00000 0.10300 S3 0.23700 0.07100 0.19700 1.00000 0.07300 S4 0.11100 0.98400 0.46800 1.00000 0.13200 S5 0.15400 0.77500 0.18800 0.93000 0.14000 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 0.09900 0.09200 0.15100 -0.01800 0.02600 -0.02700 As2 0.10700 0.11600 0.11200 -0.02300 0.03800 -0.02100 As3 0.10400 0.08300 0.12300 0.03000 0.01800 0.02600 As4 0.06100 0.07400 0.08600 -0.00700 -0.00200 0.01300 S1 0.06500 0.09000 0.12000 0.01900 0.01000 -0.01000 S2 0.07100 0.11000 0.13000 -0.01000 -0.02000 0.03000 S3 0.03500 0.09000 0.09000 -0.00900 0.00200 0.01000 S4 0.14000 0.10000 0.16000 -0.02000 0.06000 -0.02000 S5 0.17000 0.11000 0.15000 0.01000 -0.03000 -0.02000