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: ALA16-0 Note: bonazziite - alacranite series ; _database_code_amcsd 0004220 _chemical_formula_sum 'As2 S2.066' _cell_length_a 9.963 _cell_length_b 9.323 _cell_length_c 8.962 _cell_angle_alpha 90 _cell_angle_beta 102.41 _cell_angle_gamma 90 _cell_volume 812.986 _exptl_crystal_density_diffrn 3.531 _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 -0.00410 -0.20810 0.05610 0.86900 0.04390 As1b 0.05500 -0.17000 0.07400 0.13100 0.08100 As2 -0.16080 -0.40330 0.12850 0.86900 0.04250 As2b -0.12700 -0.46800 0.17600 0.13100 0.06400 S1 0.00000 -0.05610 0.25000 1.00000 0.05220 S2 0.00000 -0.55490 0.25000 0.86900 0.05300 S3 -0.20120 -0.30800 0.34070 1.00000 0.05620 S4 -0.10100 -0.32300 -0.00700 0.13100 0.06200 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 0.04300 0.05340 0.03530 0.00860 0.00820 0.00750 As1b 0.06800 0.07100 0.10100 0.02300 0.01400 0.01300 As2 0.03020 0.04720 0.04570 0.00210 -0.00190 -0.00800 As2b 0.07600 0.05300 0.06700 -0.01300 0.02200 -0.00600 S1 0.05400 0.04400 0.05800 0.00000 0.00800 0.00000 S2 0.04400 0.03300 0.07400 0.00000 -0.00500 0.00000 S3 0.03700 0.07800 0.05900 -0.00500 0.02100 -0.00700 S4 0.06000 0.06000 0.07000 0.00100 0.02400 0.01000