data_global _chemical_name_mineral 'Kuannersuite-(Ce)' loop_ _publ_author_name 'Friis H' 'Balic-Zunic T' 'Pekov I V' 'Petersen O V' _journal_name_full 'The Canadian Mineralogist' _journal_volume 42 _journal_year 2004 _journal_page_first 95 _journal_page_last 106 _publ_section_title ; Kuannersuite-(Ce), Ba6Na2REE2(PO4)6FCl, a new member of the apatite group, from the Ilimaussaq Alkaline Complex, South Greenland: Description and crystal chemistry ; _database_code_amcsd 0005927 _chemical_compound_source 'Ilimaussaq Alkaline Complex, South Greenland' _chemical_formula_sum 'Ba5.886 (Ce1.18 Nd.52 La.3) Na2 P6 O24 F2.41 Cl.59' _cell_length_a 9.9097 _cell_length_b 9.9097 _cell_length_c 7.4026 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 629.558 _exptl_crystal_density_diffrn 4.676 _symmetry_space_group_name_H-M 'P -3' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,-x+y,-z' '-x+y,-x,z' '-x,-y,-z' '-y,x-y,z' 'x-y,x,-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 Ba 0.26020 0.02440 0.23296 0.98100 0.01277 Ce 0.33333 0.66667 0.47754 0.59000 0.00860 Nd 0.33333 0.66667 0.47754 0.26000 0.00860 La 0.33333 0.66667 0.47754 0.15000 0.00860 Na 0.66667 0.33333 0.01590 1.17000 0.02130 P 0.38090 0.41230 0.26190 1.00000 0.00960 O1 0.50720 0.36680 0.28410 1.00000 0.01850 O2 0.13180 0.54550 0.21900 1.00000 0.01550 O3 0.28510 0.38670 0.43710 1.00000 0.01750 O4 0.26760 0.30960 0.11500 1.00000 0.01920 F1 0.00000 0.00000 0.03500 1.00000 0.02700 F2 0.00000 0.00000 0.50000 0.41000 0.01500 Cl 0.00000 0.00000 0.50000 0.59000 0.01500 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 Ba 0.01630 0.01170 0.01040 0.00718 -0.00062 -0.00074 Ce 0.00870 0.00870 0.00850 0.00438 0.00000 0.00000 Nd 0.00870 0.00870 0.00850 0.00438 0.00000 0.00000 La 0.00870 0.00870 0.00850 0.00438 0.00000 0.00000 Na 0.02400 0.02400 0.01400 0.01250 0.00000 0.00000 P 0.00970 0.01000 0.00980 0.00540 -0.00050 -0.00030 O1 0.01900 0.02400 0.01800 0.01600 -0.00300 -0.00200 O2 0.01300 0.01400 0.02100 0.00800 0.00070 -0.00200 O3 0.02000 0.02000 0.01100 0.01000 0.00300 0.00200 O4 0.01400 0.02400 0.01600 0.00800 -0.00600 -0.00900 F2 0.01300 0.01300 0.02000 0.00660 0.00000 0.00000 Cl 0.01300 0.01300 0.02000 0.00660 0.00000 0.00000