data_global _chemical_name_mineral 'Johnbaumite' 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: As100 ; _database_code_amcsd 0004930 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca5 As3 O13 H' _cell_length_a 9.7156 _cell_length_b 9.7156 _cell_length_c 6.9857 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 571.057 _exptl_crystal_density_diffrn 3.688 _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 0.00267 1.00000 0.01610 Ca2 0.24746 0.99831 0.25000 1.00000 0.01610 As 0.39816 0.37008 0.25000 1.00000 0.01610 O1 0.31975 0.49033 0.25000 1.00000 0.01610 O2 0.59742 0.46823 0.25000 1.00000 0.01610 O3 0.33588 0.24509 0.05623 1.00000 0.01610 O-H4 0.00000 0.00000 0.19190 0.50000 0.01610