data_global _chemical_name_mineral 'Fluorphosphohedyphane' loop_ _publ_author_name 'Miyake M' 'Ishigaki K' 'Suzuki T' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 61 _journal_year 1986 _journal_page_first 230 _journal_page_last 235 _publ_section_title ; Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting Note: Sample FAp Note: apatite group ; _database_code_amcsd 0013569 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Pb2.76 Ca2.24) P3 O12 F' _cell_length_a 9.759 _cell_length_b 9.759 _cell_length_c 7.291 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 601.351 _exptl_crystal_density_diffrn 5.332 _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 Pb1 0.33333 0.66667 0.00900 0.60000 0.03040 Ca1 0.33333 0.66667 0.00900 0.40000 0.03040 Pb2 0.25000 0.00000 0.25000 0.52000 0.02660 Ca2 0.25000 0.00000 0.25000 0.48000 0.02660 P 0.40200 0.37400 0.25000 1.00000 0.01013 O1 0.31300 0.47700 0.25000 1.00000 0.03293 O2 0.58300 0.48000 0.25000 1.00000 0.01773 O3 0.35100 0.27100 0.06600 1.00000 0.03166 F 0.00000 0.00000 0.25000 1.00000 0.04433