data_global _chemical_name_mineral 'Lueshite' loop_ _publ_author_name 'Sakowski-Cowley A C' 'Lukaszewicz K' 'Megaw H D' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 25 _journal_year 1969 _journal_page_first 851 _journal_page_last 865 _publ_section_title ; The structure of sodium niobate at room temperature, and the problem of reliability in pseudosymmetric structures ; _database_code_amcsd 0018684 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na Nb O3' _cell_length_a 5.566 _cell_length_b 15.520 _cell_length_c 5.506 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 475.632 _exptl_crystal_density_diffrn 4.578 _symmetry_space_group_name_H-M 'P b m a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,-z' '1/2-x,-y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na1 0.75000 0.00000 0.24300 Na2 0.78200 0.25000 0.23900 Nb1 0.27220 0.12620 0.25660 O1 0.25000 0.00000 0.30400 O2 0.23300 0.25000 0.19100 O3 0.03200 0.14000 0.53600 O4 0.46700 0.11000 0.96600 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 Na1 0.03861 0.02196 0.00983 -0.00219 0.00000 0.00000 Na2 0.01350 0.00854 0.01106 0.00000 -0.00404 0.00000 Nb1 0.00330 0.00488 0.00353 -0.00131 -0.00031 -0.00087 O1 0.00173 0.00366 0.01367 -0.00131 0.00000 0.00000 O2 0.00141 0.00488 0.00983 0.00000 0.00186 0.00000 O3 0.00126 0.00976 0.00507 0.00175 0.00109 0.00043 O4 0.01460 0.00854 0.00276 0.00350 0.00171 0.00087