data_global _chemical_name_mineral 'Chlorapatite' loop_ _publ_author_name 'Fleet M E' 'Liu X' 'Pan Y' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 1437 _journal_page_last 1446 _publ_section_title ; Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: Uptake, site preference, and degradation of monoclinic structure Sample: Dy-ClAp ; _database_code_amcsd 0002518 _chemical_formula_sum 'Ca4.857 Na.072 Dy.069 P3 O12 Cl2' _cell_length_a 9.6487 _cell_length_b 9.6487 _cell_length_c 6.7652 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 545.442 _exptl_crystal_density_diffrn 3.430 _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 0.66667 0.33333 0.00299 0.93300 0.01520 Na1 0.66667 0.33333 0.00299 0.03600 0.01520 Dy1 0.66667 0.33333 0.00299 0.03060 0.01520 Ca2 0.00475 0.25894 0.25000 0.99700 0.01456 Dy2 0.00475 0.25894 0.25000 0.00260 0.01456 P 0.37565 0.40844 0.25000 1.00000 0.01229 O1 0.49230 0.34420 0.25000 1.00000 0.01773 O2 0.46600 0.59300 0.25000 1.00000 0.01760 O3 0.26730 0.35390 0.06750 1.00000 0.02229 Cl 0.00000 0.00000 0.44950 1.00000 0.02406