data_global _chemical_name_mineral 'Fluorapatite' loop_ _publ_author_name 'Hughes J M' 'Nekvasil H' 'Ustunisik G' 'Lindsley D H' 'Coraor A E' 'Vaughn J' 'Phillips B L' 'McCubbin F M' 'Woerner W R' _journal_name_full 'American Mineralogist' _journal_volume 99 _journal_year 2014 _journal_page_first 369 _journal_page_last 376 _publ_section_title ; Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal structure refinements of synthetic F-Cl apatite. Note: HNF5CL5-10 ; _database_code_amcsd 0020116 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca5 P3 O12 Cl.332 F.763' _cell_length_a 9.5084 _cell_length_b 9.5084 _cell_length_c 6.82930 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 534.714 _exptl_crystal_density_diffrn 3.177 _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_occupancy _atom_site_U_iso_or_equiv Ca1 0.66667 0.33333 0.99782 1.00000 0.01217 Ca2 0.00349 0.25495 0.25000 1.00000 0.01644 P 0.96902 0.59804 0.25000 1.00000 0.00849 O1 0.15333 0.66592 0.25000 1.00000 0.01409 O2 0.87619 0.41100 0.25000 1.00000 0.01800 O3 0.90790 0.64410 0.06290 0.70000 0.01630 O3* 0.93000 0.67460 0.08520 0.30000 0.01630 Cl 0.00000 0.00000 0.00000 0.07600 0.01900 ClB 0.00000 0.00000 0.08540 0.12800 0.01230 F 0.00000 0.00000 0.25000 0.39700 0.01270 FB 0.00000 0.00000 0.16710 0.18300 0.00540 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 Ca1 0.01451 0.01451 0.00750 0.00725 0.00000 0.00000 Ca2 0.01235 0.02266 0.01014 0.00563 0.00000 0.00000 P 0.00719 0.01007 0.00810 0.00424 0.00000 0.00000 O1 0.00770 0.02010 0.01410 0.00670 0.00000 0.00000 O2 0.01400 0.01050 0.02620 0.00370 0.00000 0.00000 O3 0.01080 0.02680 0.01110 0.00930 -0.00170 0.00540 O3' 0.01080 0.02680 0.01110 0.00930 -0.00170 0.00540