data_global _chemical_name_mineral 'Bonazziite' loop_ _publ_author_name 'Bonazzi P' 'Bindi L' 'Pratesi G' 'Menchetti S' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 1323 _journal_page_last 1330 _publ_section_title ; Light-induced changes in molecular arsenic sulfides: State of the art and new evidence by single-crystal X-ray diffraction Sample: ALA15-600, light exposure for t = 600 minutes Note: bonazziite - alacranite series ; _database_code_amcsd 0004222 _chemical_formula_sum 'As2 S2.19' _cell_length_a 9.885 _cell_length_b 9.446 _cell_length_c 9.118 _cell_angle_alpha 90 _cell_angle_beta 101.32 _cell_angle_gamma 90 _cell_volume 834.819 _exptl_crystal_density_diffrn 3.502 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 _atom_site_occupancy _atom_site_U_iso_or_equiv As1 -0.00650 -0.21700 0.05770 0.62000 0.07100 As1b 0.04900 -0.17200 0.07400 0.38000 0.09000 As2 -0.16330 -0.40850 0.13600 0.62000 0.07600 As2b -0.12100 -0.46300 0.17600 0.38000 0.08000 S1 0.00000 -0.06290 0.25000 1.00000 0.08900 S2 0.00000 -0.56000 0.25000 0.62000 0.10700 S3 -0.20320 -0.31670 0.33810 1.00000 0.08900 S4 -0.10400 -0.32400 -0.00800 0.38000 0.08700 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 0.07700 0.08200 0.05100 0.00400 0.00600 0.00900 As1b 0.10000 0.05500 0.11000 0.01900 0.01500 0.01000 As2 0.05400 0.06900 0.09600 0.00800 -0.00600 -0.02100 As2b 0.08000 0.09400 0.07200 -0.01800 0.03200 -0.03500 S1 0.10100 0.06000 0.10900 0.00000 0.02700 0.00000 S2 0.05600 0.05200 0.19000 0.00000 -0.03000 0.00000 S3 0.06500 0.11600 0.09300 -0.01500 0.03200 -0.00500 S4 0.12000 0.07000 0.06000 0.03000 -0.01000 -0.00400