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: B2-600, light exposure for t = 600 minutes Note: bonazziite - alacranite series ; _database_code_amcsd 0004218 _chemical_formula_sum 'As2 S2.085' _cell_length_a 9.881 _cell_length_b 9.397 _cell_length_c 8.930 _cell_angle_alpha 90 _cell_angle_beta 101.64 _cell_angle_gamma 90 _cell_volume 812.114 _exptl_crystal_density_diffrn 3.545 _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 0.00200 -0.20840 0.05700 0.83000 0.04590 As1b 0.04300 -0.16600 0.09500 0.17000 0.11200 As2 -0.16060 -0.40220 0.12820 0.83000 0.04880 As2b -0.12000 -0.45900 0.16900 0.17000 0.08500 S1 0.00000 -0.05900 0.25000 1.00000 0.06200 S2 0.00000 -0.55250 0.25000 0.83000 0.06500 S3 -0.20340 -0.30650 0.33850 1.00000 0.06220 S4 -0.09500 -0.32000 -0.00600 0.17000 0.07600 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 0.04980 0.05500 0.03200 0.00860 0.00630 0.00940 As1b 0.09000 0.04300 0.20000 0.02700 0.05000 0.05900 As2 0.03620 0.04990 0.05500 0.00380 -0.00340 -0.01370 As2b 0.06800 0.11000 0.08200 -0.03300 0.03500 -0.06300 S1 0.07000 0.04200 0.07300 0.00000 0.01100 0.00000 S2 0.05400 0.03400 0.09800 0.00000 -0.00500 0.00000 S3 0.04200 0.08300 0.06600 -0.00800 0.02300 -0.01100 S4 0.09000 0.09000 0.04400 0.05000 0.02400 0.01700