data_global _amcsd_formula_title 'Sr10(PO4)6S' loop_ _publ_author_name 'Henning P A' 'Adolfsson E' 'Grins J' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 215 _journal_year 2000 _journal_page_first 226 _journal_page_last 230 _publ_section_title ; The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se ; _database_code_amcsd 0019725 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Sr10 P6 O24 S' _cell_length_a 9.8077 _cell_length_b 9.8077 _cell_length_c 7.2089 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 600.529 _exptl_crystal_density_diffrn 4.087 _symmetry_space_group_name_H-M 'P -3' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,-x+y,-z' '-x+y,-x,z' '-x,-y,-z' '-y,x-y,z' 'x-y,x,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Sr11 0.33333 0.66667 0.02150 0.00702 Sr12 0.33333 0.66667 0.51620 0.00702 Sr2 0.24561 0.98698 0.25788 0.00702 P 0.39820 0.36970 0.24750 0.00380 O1 0.33130 0.48230 0.26620 0.01260 O2 0.58090 0.46230 0.21110 0.01260 O31 0.30770 0.24310 0.09060 0.01260 O32 0.37650 0.28200 0.43090 0.01260 S 0.00000 0.00000 0.50000 0.01130