data_global _chemical_name_mineral 'Realgar' loop_ _publ_author_name 'Kyono A' 'Kimata M' 'Hatta T' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 1563 _journal_page_last 1570 _publ_section_title ; Light-induced degradation dynamics in realgar: in situ structural investigation using single crystal X-ray diffraction and X-ray photoelectron spectroscopy Sample: Getchell mine, Nevada; t = 24 hours Note: space group corrected ; _database_code_amcsd 0003937 _chemical_formula_sum 'As S' _cell_length_a 9.385 _cell_length_b 13.570 _cell_length_c 6.600 _cell_angle_alpha 90 _cell_angle_beta 105.36 _cell_angle_gamma 90 _cell_volume 810.516 _exptl_crystal_density_diffrn 3.507 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv As1 0.12520 -0.02070 0.76170 0.07600 As2 0.42480 0.13900 0.85020 0.06730 As3 0.32110 0.12750 0.17140 0.06080 As4 0.03790 0.15940 0.71470 0.07950 S1 0.34650 -0.00720 0.70440 0.06800 S2 0.21310 -0.02460 0.11260 0.08720 S3 0.24160 0.22630 0.64390 0.07060 S4 0.10810 0.21210 0.03420 0.07930 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 0.08840 0.06450 0.07320 0.00100 0.01800 -0.00360 As2 0.07850 0.05320 0.07500 0.00500 0.02880 0.00320 As3 0.06290 0.06480 0.05440 0.00450 0.01490 -0.00750 As4 0.07490 0.08410 0.08250 0.00750 0.02600 0.00310 S1 0.08800 0.04080 0.07880 -0.03680 0.02820 0.00230 S2 0.14010 0.05500 0.07170 0.04340 0.03710 0.01240 S3 0.08650 0.05410 0.07000 -0.00480 0.01890 -0.00830 S4 0.09420 0.07640 0.06850 -0.00180 0.02360 0.00270