data_global _amcsd_formula_title 'NdTaO4' loop_ _publ_author_name 'Santoro A' 'Marezio M' 'Roth R S' 'Minor D' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 35 _journal_year 1980 _journal_page_first 167 _journal_page_last 175 _publ_section_title ; Neutron powder diffraction study of the structures of CeTaO4, CeNbO4, and NdTaO4 ; _database_code_amcsd 0013408 _chemical_formula_sum 'Nd Ta O4' _cell_length_a 5.5115 _cell_length_b 11.2320 _cell_length_c 5.1112 _cell_angle_alpha 90 _cell_angle_beta 95.71 _cell_angle_gamma 90 _cell_volume 314.840 _exptl_crystal_density_diffrn 8.211 _symmetry_space_group_name_H-M 'I 1 2/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2-x,y,-z' '-x,1/2+y,1/2-z' '1/2+x,-y,z' '+x,1/2-y,1/2+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 Nd 0.25000 0.11780 0.00000 0.00393 Ta 0.25000 0.65150 0.00000 0.00633 O1 0.01520 0.71880 0.21650 0.00545 O2 0.90140 0.45630 0.23960 0.00646