data_global _chemical_name_mineral 'Fluorapatite' loop_ _publ_author_name 'Luo Y' 'Hughes J M' 'Rakovan J' 'Pan Y' _journal_name_full 'American Mineralogist' _journal_volume 94 _journal_year 2009 _journal_page_first 345 _journal_page_last 351 _publ_section_title ; Site preference of U and Th in Cl, F, and Sr apatites Note: ThFAP ; _database_code_amcsd 0004839 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca4.961 Th.039 P3 O12 F' _cell_length_a 9.375 _cell_length_b 9.375 _cell_length_c 6.883 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 523.903 _exptl_crystal_density_diffrn 3.244 _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 0.00107 0.99900 0.01070 Ca2 0.75984 0.00764 0.25000 0.98700 0.00970 Th2 0.75984 0.00764 0.25000 0.01300 0.00970 P 0.60179 0.63095 0.25000 1.00000 0.00700 O1 0.67430 0.51573 0.25000 1.00000 0.01150 O2 0.41194 0.53296 0.25000 1.00000 0.01320 O3 0.65868 0.74320 0.07044 1.00000 0.01540 F 0.00000 0.00000 0.25000 1.00000 0.02200 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 0.01230 0.01230 0.00750 0.00610 0.00000 0.00000 Ca2 0.01150 0.00920 0.00890 0.00540 0.00000 0.00000 Th2 0.01150 0.00920 0.00890 0.00540 0.00000 0.00000 P 0.00740 0.00660 0.00750 0.00380 0.00000 0.00000 O1 0.01440 0.01090 0.01260 0.00900 0.00000 0.00000 O2 0.00750 0.00980 0.02070 0.00320 0.00000 0.00000 O3 0.02460 0.01380 0.01110 0.01210 0.00710 0.00420 F 0.01190 0.01190 0.04220 0.00000 0.00000 0.00600