data_global _chemical_name_mineral 'Hydroxylapatite' loop_ _publ_author_name 'Lee Y J' 'Stephens P W' 'Tang Y' 'Li W' 'Phillips B L' 'Parise J B' 'Reeder R J' _journal_name_full 'American Mineralogist' _journal_volume 94 _journal_year 2009 _journal_page_first 666 _journal_page_last 675 _publ_section_title ; Arsenate substitution in hydroxylapatite: Structural characterization of the Ca5(PxAs1-xO4)3OH solid solution Sample: As0 ; _database_code_amcsd 0004924 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca5 P3 O13 H' _cell_length_a 9.4212 _cell_length_b 9.4212 _cell_length_c 6.8927 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 529.825 _exptl_crystal_density_diffrn 3.149 _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 0.33333 0.66667 0.00097 1.00000 0.00686 Ca2 0.24642 0.99283 0.25000 1.00000 0.00686 P 0.39717 0.36792 0.25000 1.00000 0.00686 O1 0.32694 0.48259 0.25000 1.00000 0.00686 O2 0.58687 0.46621 0.25000 1.00000 0.00686 O3 0.34163 0.25520 0.06978 1.00000 0.00686 O-H4 0.00000 0.00000 0.19780 0.50000 0.00686