#------------------------------------------------------------------------------ #$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: svn://www.crystallography.net/cod/cif/2/2002942.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2002942 _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 55 _journal_year 1999 _journal_page_first 24 _journal_page_last 30 _chemical_formula_moiety 'Na1 Nb1 O3 ' _chemical_formula_sum 'Na Nb O3' _[local]_cod_chemical_formula_sum_orig 'Na1 Nb1 O3 ' _symmetry_cell_setting orthorhombic _space_group_IT_number 17 _symmetry_space_group_name_Hall 'P 2c 2' _symmetry_space_group_name_H-M 'P 2 2 21' _[local]_cod_cif_authors_sg_H-M 'C m c m' _[local]_cod_cif_authors_sg_Hall '-C 2c 2' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' 'x, -y, -z' '-x, y, -z+1/2' _cell_length_a 7.85758(3) _cell_length_b 7.86793(3) _cell_length_c 7.8765(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume ? _cell_formula_units_Z 8 _cell_measurement_temperature 813 _diffrn_radiation_type neutron _diffrn_radiation_wavelength ? _refine_ls_R_factor_all ? loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Nb .25 .25 .0 Na1 .0 .0022(14) .25 Na2 .0 .5026(14) .25 O1 .2230(4) .0 .0 O2 .0 .2741(4) .0203(3) O3 .2710(3) .2489(7) .25