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 74 _journal_year 1989 _journal_page_first 870 _journal_page_last 876 _publ_section_title ; Structural variations in natural F, OH, and Cl apatites ; _database_code_amcsd 0001256 _chemical_compound_source 'Durango Mexico' _chemical_formula_sum 'Ca5 P3 O12 F' _cell_length_a 9.3973 _cell_length_b 9.3973 _cell_length_c 6.8782 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 526.031 _exptl_crystal_density_diffrn 3.184 _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 Ca1 0.66667 0.33333 0.00100 Ca2 -0.00712 0.24227 0.25000 P 0.36895 0.39850 0.25000 O1 0.48490 0.32730 0.25000 O2 0.46670 0.58750 0.25000 O3 0.25750 0.34210 0.07050 F 0.00000 0.00000 0.25000 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 0.01322 0.01322 0.00791 0.00661 0.00000 0.00000 Ca2 0.00859 0.01211 0.00815 0.00502 0.00000 0.00000 P 0.00698 0.00775 0.00767 0.00419 0.00000 0.00000 O1 0.01241 0.01476 0.01318 0.00889 0.00000 0.00000 O2 0.01275 0.01007 0.02109 0.00470 0.00000 0.00000 O3 0.01443 0.02584 0.01318 0.01275 -0.00454 -0.00737 F 0.00973 0.00973 0.00527 0.00487 0.00000 0.00000