data_1000343 _chemical_name_systematic ; Trisodium dilanthanum tetracarbonate fluoride ; _chemical_formula_structural 'Na3 La2 (C O3)4 F' _chemical_formula_sum 'F La2 Na3 O12' _publ_section_title ; Growth, structure, NMR characterization of a new fluorocarbonate Na~3~La~2~(CO~3~)~4~F ; loop_ _publ_author_name 'Mercier, N' 'Taulelle, F' 'Leblanc, M' _journal_name_full ; European Journal of Solid State Inorganic Chemistry ; _journal_coden_ASTM EJSCE5 _journal_volume 30 _journal_year 1993 _journal_page_first 609 _journal_page_last 617 _cell_length_a 5.083(1) _cell_length_b 5.083(1) _cell_length_c 23.034(5) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 515.4 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P 63/m m c' _symmetry_Int_Tables_number 194 _symmetry_cell_setting hexagonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' '-y,-x,z' 'y-x,y,z' 'x,x-y,z' '-x,-y,-z' 'y,y-x,-z' 'x-y,x,-z' 'y,x,-z' 'x-y,-y,-z' '-x,y-x,-z' '-x,-y,1/2+z' 'y,y-x,1/2+z' 'x-y,x,1/2+z' 'y,x,1/2+z' 'x-y,-y,1/2+z' '-x,y-x,1/2+z' 'x,y,1/2-z' '-y,x-y,1/2-z' 'y-x,-x,1/2-z' '-y,-x,1/2-z' 'y-x,y,1/2-z' 'x,x-y,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number La3+ 3.000 Na1+ 1.000 C4+ 4.000 F1- -1.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag La1 La3+ 4 f 0.3333 0.6667 0.1454(1) 1. 0 d Na1 Na1+ 2 b 0. 0. 0.25 1. 0 d Na2 Na1+ 4 f 0.3333 0.6667 0.5221(2) 1. 0 d C1 C4+ 4 e 0. 0. 0.0632(2) 1. 0 d C2 C4+ 4 f 0.3333 0.6667 0.6768(3) 1. 0 d F1 F1- 2 c 0.3333 0.6667 0.25 1. 0 d O1 O2- 24 l 0.096(1) 0.286(1) 0.0620(2) 0.5 0 d O2 O2- 12 k 0.1883(3) 0.3766(6) 0.6761(1) 1. 0 d loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_22 _atom_site_aniso_U_23 _atom_site_aniso_U_33 La1 0.0063(1) 0.00315(5) 0. 0.0063(1) 0. 0.0063(1) Na1 0.016(1) 0.0080(5) 0. 0.016(1) 0. 0.009(1) Na2 0.017(1) 0.0085(5) 0. 0.017(1) 0. 0.022(2) C1 0.011(1) 0.0055(5) 0. 0.011(1) 0. 0.005(2) C2 0.007(1) 0.0035(5) 0. 0.007(1) 0. 0.006(2) F1 0.024(2) 0.012(1) 0. 0.024(2) 0. 0.007(2) O1 0.012(2) 0.0043(66) -0.002(1) 0.009(1) -0.0012(6) 0.013(1) O2 0.010(1) 0.0025(5) -0.001(2) 0.005(1) -0.002(4) 0.017(1) _refine_ls_R_factor_all 0.021