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: Sample HNF5CL5-9 ; _database_code_amcsd 0020115 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca5 P3 O12 Cl.336 F.764' _cell_length_a 9.5100 _cell_length_b 9.5100 _cell_length_c 6.8289 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 534.863 _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 -0.00218 1.00000 0.01214 Ca3 0.00350 0.25496 0.25000 1.00000 0.01638 P 0.96902 0.59804 0.25000 1.00000 0.00846 O1 0.15326 0.66587 0.25000 1.00000 0.01408 O2 0.87618 0.41098 0.25000 1.00000 0.01800 O3 0.90800 0.64400 0.06300 0.70000 0.01620 O3* 0.93020 0.67520 0.08490 0.30000 0.01620 Cl 0.00000 0.00000 0.00000 0.07800 0.02000 ClB 0.00000 0.00000 0.08560 0.12900 0.01210 F 0.00000 0.00000 0.25000 0.40200 0.01340 FB 0.00000 0.00000 0.16680 0.18100 0.00490 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 0.01447 0.01447 0.00747 0.00724 0.00000 0.00000 Ca3 0.01232 0.02260 0.01007 0.00562 0.00000 0.00000 P 0.00711 0.01009 0.00806 0.00420 0.00000 0.00000 O1 0.00780 0.02030 0.01380 0.00680 0.00000 0.00000 O2 0.01390 0.01050 0.02640 0.00370 0.00000 0.00000 O3 0.01080 0.02620 0.01130 0.00910 -0.00160 0.00560 O3' 0.01080 0.02620 0.01130 0.00910 -0.00160 0.00560