data_global _chemical_name_mineral 'Apatite-(CaF)' loop_ _publ_author_name 'Fleet M E' 'Pan Y' _journal_name_full 'American Mineralogist' _journal_volume 82 _journal_year 1997 _journal_page_first 870 _journal_page_last 877 _publ_section_title ; Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- substituted crystals Sample: Ce,Dy-FAp ; _database_code_amcsd 0001939 _chemical_formula_sum 'Ca5 P3 O12 F' _cell_length_a 9.3874 _cell_length_b 9.3874 _cell_length_c 6.8920 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 525.977 _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 _atom_site_U_iso_or_equiv Ca1 0.66667 0.33333 0.00070 0.01026 Ca2 0.99103 0.24124 0.25000 0.00855 P 0.36863 0.39783 0.25000 0.00608 O1 0.48450 0.32570 0.25000 0.01191 O2 0.46650 0.58650 0.25000 0.01368 O3 0.25630 0.34080 0.07130 0.01646 F 0.00000 0.00000 0.25000 0.02938