data_global _chemical_name_mineral 'Fergusonite-(Ce)' loop_ _publ_author_name 'Skinner S J' 'Brooks I J E' 'Munnings C N' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 60 _journal_year 2004 _journal_page_first i37 _journal_page_last i39 _publ_section_title ; Tetragonal CeNbO4 at 1073 K in air and in vacuo Sample: in air ; _database_code_amcsd 0010328 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ce Nb O4' _cell_length_a 5.37692 _cell_length_b 5.37692 _cell_length_c 11.59514 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 335.230 _exptl_crystal_density_diffrn 5.885 _symmetry_space_group_name_H-M 'I 41/a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '3/4+y,1/4-x,1/4-z' '1/4+y,3/4-x,3/4-z' '3/4-y,1/4+x,1/4+z' '1/4-y,3/4+x,3/4+z' '1/2+x,y,1/2-z' '+x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,1/2-y,+z' '3/4-y,3/4+x,3/4-z' '1/4-y,1/4+x,1/4-z' '3/4+y,3/4-x,3/4+z' '1/4+y,1/4-x,1/4+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_U_iso_or_equiv Ce 0.00000 0.25000 0.62500 0.01690 Nb 0.00000 0.25000 0.12500 0.01730 O 0.16173 0.49318 0.21021 0.03030 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 Ce 0.01880 0.01880 0.01310 0.00000 0.00000 0.00000 Nb 0.01390 0.01390 0.02440 0.00000 0.00000 0.00000 O 0.03220 0.03190 0.02680 -0.01450 0.00750 -0.01060