data_global _chemical_name_mineral 'Fluorapatite' loop_ _publ_author_name 'Fleet M E' 'Pan Y' _journal_name_full 'American Mineralogist' _journal_volume 80 _journal_year 1995 _journal_page_first 329 _journal_page_last 335 _publ_section_title ; Site preference of rare earth elements in fluorapatite Sample: Gd-FAp ; _database_code_amcsd 0001725 _chemical_formula_sum '(Ca4.52 Na.173 Gd.307) (P2.859 Si.141) O12 F' _cell_length_a 9.3853 _cell_length_b 9.3853 _cell_length_c 6.8876 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 525.406 _exptl_crystal_density_diffrn 3.394 _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 0.00033 0.88600 0.01013 Na1 0.66667 0.33333 0.00033 0.07600 0.01013 Gd1 0.66667 0.33333 0.00033 0.03800 0.01013 Ca2 0.99174 0.24226 0.25000 0.91600 0.00814 Na2 0.99174 0.24226 0.25000 0.00700 0.00814 Gd2 0.99174 0.24226 0.25000 0.07700 0.00814 P 0.36842 0.39729 0.25000 0.95300 0.00589 Si 0.36842 0.39729 0.25000 0.04700 0.00589 O1 0.48360 0.32510 0.25000 1.00000 0.01178 O2 0.46700 0.58730 0.25000 1.00000 0.01368 O3 0.25600 0.34060 0.07070 1.00000 0.01646 F 0.00000 0.00000 0.25000 1.00000 0.03116