data_global _chemical_name_mineral 'Fluorapatite' loop_ _publ_author_name 'Comodi P' 'Liu Y' 'Zanazzi P F' 'Montagnoli M' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 28 _journal_year 2001 _journal_page_first 219 _journal_page_last 224 _publ_section_title ; Structural and vibrational behaviour of fluorapatite with pressure. Part 1: in situ single-crystal X-ray diffraction investigation Sample: P = .0001 GPa ; _database_code_amcsd 0008534 _chemical_formula_sum 'Ca5 P3 O12 F' _cell_length_a 9.375 _cell_length_b 9.375 _cell_length_c 6.887 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 524.208 _exptl_crystal_density_diffrn 3.195 _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 0.00110 0.01300 Ca2 -0.00721 0.24154 0.25000 0.01260 P 0.36853 0.39785 0.25000 0.00960 O1 0.48440 0.32670 0.25000 0.01370 O2 0.46660 0.58730 0.25000 0.01630 O3 0.25720 0.34160 0.07050 0.01880 F 0.00000 0.00000 0.25000 0.02660