data_global _amcsd_formula_title 'Sr5(AsO4)3F' loop_ _publ_author_name 'Dordevic T' 'Sutovic S' 'Stojanovic J' 'Karanovic L' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 64 _journal_year 2008 _journal_page_first i82 _journal_page_last i86 _publ_section_title ; Sr, Ba and Cd arsenates with the apatite-type structure ; _database_code_amcsd 0010344 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Sr5 As3 O12 F' _cell_length_a 9.990 _cell_length_b 9.990 _cell_length_c 7.395 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 639.145 _exptl_crystal_density_diffrn 4.541 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-x+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 Sr1 0.33333 0.66667 0.00132 0.01060 Sr2 0.23777 0.98886 0.25000 0.01059 As 0.40023 0.37000 0.25000 0.00793 O1 0.32360 0.48610 0.25000 0.01380 O2 0.59400 0.47010 0.25000 0.01590 O3 0.34380 0.25410 0.06880 0.02020 F 0.00000 0.00000 0.25000 0.03870 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 Sr1 0.01260 0.01260 0.00670 0.00628 0.00000 0.00000 Sr2 0.01210 0.00950 0.00960 0.00497 0.00000 0.00000 As 0.00860 0.00810 0.00770 0.00463 0.00000 0.00000 O1 0.01930 0.01250 0.01580 0.01240 0.00000 0.00000 O2 0.00900 0.01150 0.02620 0.00430 0.00000 0.00000 O3 0.03650 0.01640 0.01270 0.01700 -0.01200 -0.00740 F 0.01630 0.01630 0.08300 0.00820 0.00000 0.00000