data_global _chemical_name_mineral 'Loparite-(Ce)' loop_ _publ_author_name 'Mitchell R H' 'Burns P C' 'Chakhmouradian A R' _journal_name_full 'The Canadian Mineralogist' _journal_volume 38 _journal_year 2000 _journal_page_first 145 _journal_page_last 152 _publ_section_title ; The crystal structures of loparite-(Ce) Sample: Loparite L ; _database_code_amcsd 0005640 _chemical_compound_source 'Lovozero complex, Russia' _chemical_formula_sum 'Na.46 La.09 Ce.18 Pr.02 Nd.05 Ca.13 Sr.05 (Ti.87 Nb.13) O3' _cell_length_a 5.5022 _cell_length_b 5.5084 _cell_length_c 7.7767 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 235.699 _exptl_crystal_density_diffrn 4.781 _symmetry_space_group_name_H-M 'I 4/m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,1/2+z' '1/2-y,1/2-x,+z' 'y,x,1/2-z' '1/2+y,1/2+x,-z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,-y,1/2+z' '1/2+x,1/2-y,+z' '-x,y,1/2-z' '1/2-x,1/2+y,-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,1/2+z' '1/2+y,1/2+x,+z' '-y,-x,1/2-z' '1/2-y,1/2-x,-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,y,1/2+z' '1/2-x,1/2+y,+z' 'x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-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 Na 0.00000 0.50000 0.25000 0.46000 0.01970 La 0.00000 0.50000 0.25000 0.09000 0.01970 Ce 0.00000 0.50000 0.25000 0.18000 0.01970 Pr 0.00000 0.50000 0.25000 0.02000 0.01970 Nd 0.00000 0.50000 0.25000 0.05000 0.01970 Ca 0.00000 0.50000 0.25000 0.13000 0.01970 Sr 0.00000 0.50000 0.25000 0.05000 0.01970 Ti 0.00000 0.00000 0.00000 0.87000 0.01220 Nb 0.00000 0.00000 0.00000 0.13000 0.01220 O1 0.00000 0.00000 0.25000 1.00000 0.06410 O2 0.28280 0.78280 0.00000 1.00000 0.04380 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 Na 0.01960 0.01960 0.02000 0.00000 0.00000 0.00000 La 0.01960 0.01960 0.02000 0.00000 0.00000 0.00000 Ce 0.01960 0.01960 0.02000 0.00000 0.00000 0.00000 Pr 0.01960 0.01960 0.02000 0.00000 0.00000 0.00000 Nd 0.01960 0.01960 0.02000 0.00000 0.00000 0.00000 Ca 0.01960 0.01960 0.02000 0.00000 0.00000 0.00000 Sr 0.01960 0.01960 0.02000 0.00000 0.00000 0.00000 Ti 0.01270 0.01270 0.01130 0.00000 0.00000 0.00000 Nb 0.01270 0.01270 0.01130 0.00000 0.00000 0.00000 O1 0.08560 0.08560 0.02100 0.00000 0.00000 0.00000 O2 0.02610 0.02610 0.07920 0.00530 0.00000 0.00000