data_global _chemical_name_mineral 'Hydroxylapatite' loop_ _publ_author_name 'Sudarsanan K' 'Young R A' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 25 _journal_year 1969 _journal_page_first 1534 _journal_page_last 1543 _publ_section_title ; Significant precision in crystal structural details: Holly Springs hydroxyapatite Sample: X-23-6 ; _database_code_amcsd 0009354 _chemical_compound_source 'Holly Springs, Cherokee County, Georgia, USA' _chemical_formula_sum 'Ca5 P3 O13 H' _cell_length_a 9.424 _cell_length_b 9.424 _cell_length_c 6.879 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 529.086 _exptl_crystal_density_diffrn 3.153 _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 CaI 0.33333 0.66667 0.00140 1.00000 CaII 0.24650 0.99330 0.25000 1.00000 P 0.39850 0.36840 0.25000 1.00000 OI 0.32820 0.48460 0.25000 1.00000 OII 0.58710 0.46490 0.25000 1.00000 OIII 0.34340 0.25790 0.07040 1.00000 O-h 0.00000 0.00000 0.19600 0.50000 H 0.00000 0.00000 0.06080 0.50000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 CaI 0.01046 0.01046 0.00503 0.00523 0.00000 0.00000 CaII 0.00709 0.00709 0.00743 0.00337 0.00000 0.00000 P 0.00607 0.00574 0.00647 0.00337 0.00000 0.00000 OI 0.01249 0.00979 0.01319 0.00844 0.00000 0.00000 OII 0.00607 0.00945 0.02325 0.00337 0.00000 0.00000 OIII 0.03003 0.01451 0.01271 0.01485 -0.01081 -0.00739 O-h 0.00877 0.00877 0.02277 0.00439 0.00000 0.00000 H 0.04353 0.04353 0.02493 0.02177 0.00000 0.00000