data_global _chemical_name_mineral 'Fluorapatite' loop_ _publ_author_name 'Hughes J M' 'Fransolet A M' 'Schreyer W' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1993 _journal_year 1993 _journal_page_first 504 _journal_page_last 510 _publ_section_title ; The atomic arrangement of iron-bearing apatite ; _database_code_amcsd 0020482 _chemical_compound_source 'Northampton Block, Western Australia' _chemical_formula_sum 'Ca4.9 Fe.099 P3 O12.1 F.75 Cl.15 H.1' _cell_length_a 9.3916 _cell_length_b 9.3962 _cell_length_c 6.8458 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 119.9508 _cell_volume 523.434 _exptl_crystal_density_diffrn 3.224 _symmetry_space_group_name_H-M 'P 1 1 21/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,1/2+z' '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 0.00130 0.99800 0.01108 Ca2 0.24703 0.00683 0.25000 0.84270 0.00899 Ca3 0.27150 -0.00050 0.25000 0.12700 0.01026 Fe1 0.27150 -0.00050 0.25000 0.03300 0.01026 Ca4 0.75977 0.75267 0.25000 0.84000 0.00912 Ca5 0.72860 0.73120 0.25000 0.12700 0.00988 Fe2 0.72860 0.73120 0.25000 0.03300 0.00988 Ca6 -0.00695 0.24006 0.25000 0.84000 0.00899 Ca7 0.00140 0.25220 0.25000 0.12700 0.00925 Fe3 0.00140 0.25220 0.25000 0.03300 0.00925 P1 0.02969 -0.36932 0.25000 1.00000 0.00785 P2 -0.39905 -0.02963 0.25000 1.00000 0.00798 P3 0.36933 0.39900 0.25000 1.00000 0.00785 O1 0.48560 0.32860 0.25000 1.00000 0.01267 O2 -0.15690 -0.48530 0.25000 1.00000 0.01241 O3 -0.32850 0.15710 0.25000 1.00000 0.01203 O4 0.46650 0.58820 0.25000 1.00000 0.01507 O5 0.12140 -0.46660 0.25000 1.00000 0.01431 O6 0.41190 -0.12160 0.25000 1.00000 0.01469 O7 0.25820 0.34280 0.07030 1.00000 0.01735 O8 0.08460 -0.25840 0.07000 1.00000 0.01760 O9 -0.34260 -0.08460 0.07030 1.00000 0.01735 F1 -0.00040 -0.00020 0.25000 0.75000 0.01900 Cl1 -0.00040 -0.00020 0.25000 0.15000 0.01900 O-H10 0.00100 0.00100 0.32800 0.05000 0.01646