data_global _chemical_name_mineral 'Gerstleyite' loop_ _publ_author_name 'Nakai I' 'Appleman D E' _journal_name_full 'Chemistry Letters' _journal_volume 1981 _journal_year 1981 _journal_page_first 1327 _journal_page_last 1330 _publ_section_title ; The crystal structure of gerstleyite Na2(Sb,As)8S13*2H2O: the first sulfosalt mineral of sodium ; _database_code_amcsd 0012197 _chemical_compound_source 'Baker mine, Kern County, Boron, California, USA' _chemical_formula_sum 'Na2 (Sb7.2 As.8) S13 (O2 H4)' _cell_length_a 9.911 _cell_length_b 23.05 _cell_length_c 7.097 _cell_angle_alpha 90 _cell_angle_beta 127.85 _cell_angle_gamma 90 _cell_volume 1280.210 _exptl_crystal_density_diffrn 3.724 _symmetry_space_group_name_H-M 'C 1 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,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 Na 0.01030 0.42550 0.02240 1.00000 0.05573 Sb1 0.41280 0.40590 0.79330 0.83000 0.02242 As1 0.41280 0.40590 0.79330 0.17000 0.02242 Sb2 0.08590 0.16850 0.50340 0.98000 0.01912 As2 0.08590 0.16850 0.50340 0.02000 0.01912 Sb3 0.48460 0.16900 0.51550 0.91000 0.01786 As3 0.48460 0.16900 0.51550 0.09000 0.01786 Sb4 0.49350 0.24610 0.98290 0.88000 0.02077 As4 0.49350 0.24610 0.98290 0.12000 0.02077 S1 0.00000 0.00000 0.00000 1.00000 0.02938 S2 0.46810 0.42610 0.51590 1.00000 0.03116 S3 0.26210 0.10500 0.45410 1.00000 0.02571 S4 0.11070 0.42460 0.52480 1.00000 0.03901 S5 0.28900 0.17460 0.94510 1.00000 0.01976 S6 0.16050 0.32860 0.95510 1.00000 0.03014 S7 0.31520 0.27560 0.57570 1.00000 0.02140 Wat1 0.34200 0.00000 0.98600 1.00000 0.06447 Wat2 0.15900 0.50000 0.98100 1.00000 0.04293