data_global _chemical_name_mineral 'Fluorapatite' loop_ _publ_author_name 'Hughes J M' 'Cameron M' 'Crowley K D' _journal_name_full 'American Mineralogist' _journal_volume 75 _journal_year 1990 _journal_page_first 295 _journal_page_last 304 _publ_section_title ; Crystal structures of natural ternary apatites: Solid solution in the Ca5(PO4)3X (X = F,OH,Cl) system ; _database_code_amcsd 0001290 _chemical_formula_sum 'Ca5 P3 O12.28 F.39 Cl.33 H.28' _cell_length_a 9.4615 _cell_length_b 9.4615 _cell_length_c 6.8491 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 530.987 _exptl_crystal_density_diffrn 3.185 _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 Ca1 0.66667 0.33333 0.00180 1.00000 Ca2A -0.00699 0.23861 0.25000 0.89000 Ca2B -0.00180 0.27090 0.25000 0.11000 P 0.36968 0.40053 0.25000 1.00000 O1 0.48620 0.33150 0.25000 1.00000 O2 0.46510 0.58840 0.25000 1.00000 O3 0.25970 0.34500 0.06990 1.00000 F 0.00000 0.00000 0.25000 0.39000 O-H 0.00000 0.00000 0.20000 0.14000 ClB 0.00000 0.00000 0.36800 0.08200 ClA 0.00000 0.00000 0.44000 0.08300 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 0.01418 0.01418 0.00879 0.00709 0.00000 0.00000 Ca2A 0.00922 0.00449 0.00998 0.00306 0.00000 0.00000 Ca2B 0.01088 0.00068 0.00879 0.00102 0.00000 0.00000 P 0.00878 0.00922 0.00903 0.00544 0.00000 0.00000 O1 0.01463 0.01871 0.01355 0.01241 0.00000 0.00000 O2 0.01769 0.01020 0.02614 0.00731 0.00000 0.00000 O3 0.01769 0.03605 0.01616 0.01803 -0.00739 -0.01151 F 0.00986 0.00986 0.05228 0.00493 0.00000 0.00000 O-H 0.01020 0.01020 0.02852 0.00510 0.00000 0.00000 ClB 0.01905 0.01905 0.06417 0.00952 0.00000 0.00000 ClA 0.01905 0.01905 0.06417 0.00952 0.00000 0.00000