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: ALA16-1800, light exposure for t = 1800 minutes Note: bonazziite - alacranite series ; _database_code_amcsd 0004221 _chemical_formula_sum 'As2 S2.155' _cell_length_a 9.862 _cell_length_b 9.438 _cell_length_c 9.078 _cell_angle_alpha 90 _cell_angle_beta 101.25 _cell_angle_gamma 90 _cell_volume 828.722 _exptl_crystal_density_diffrn 3.510 _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 -0.00310 -0.21340 0.05910 0.69000 0.06900 As1b 0.05600 -0.16900 0.07500 0.31000 0.10400 As2 -0.16180 -0.40800 0.13590 0.69000 0.07700 As2b -0.11900 -0.46500 0.17700 0.31000 0.07800 S1 0.00000 -0.06210 0.25000 1.00000 0.08900 S2 0.00000 -0.55800 0.25000 0.69000 0.10700 S3 -0.20320 -0.31520 0.33790 1.00000 0.09400 S4 -0.10100 -0.32100 -0.00700 0.31000 0.08400 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 0.07100 0.08300 0.05200 0.01200 0.00800 0.01300 As1b 0.09200 0.05900 0.16000 0.00200 0.03600 0.01200 As2 0.05900 0.07500 0.09000 0.00800 -0.00400 -0.02100 As2b 0.07600 0.09500 0.06800 -0.01400 0.02200 -0.02900 S1 0.10600 0.06200 0.09700 0.00000 0.01600 0.00000 S2 0.08000 0.04700 0.18000 0.00000 -0.01700 0.00000 S3 0.06500 0.13000 0.09300 -0.00900 0.03200 -0.00400 S4 0.11000 0.10000 0.04000 0.03000 -0.00300 -0.00600