#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/05/1010525.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_1010525 loop_ _publ_author_name 'Ziegler, G E' _publ_section_title ; The Crystal Structure of Sodium Nitrite,Na N O~2~ ; _journal_coden_ASTM PHRVAO _journal_name_full ; Physical Review (1,1893-132,1963/141,1966-188,1969) ; _journal_page_first 1040 _journal_page_last 1047 _journal_volume 38 _journal_year 1931 _chemical_formula_structural 'Na N O2' _chemical_formula_sum 'N Na O2' _chemical_name_systematic 'Sodium nitrate(III)' _space_group_IT_number 44 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 44 _symmetry_space_group_name_Hall 'I -2 -2' _symmetry_space_group_name_H-M 'I m 2 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.55 _cell_length_b 5.56 _cell_length_c 5.37 _cell_volume 106.0 _cod_database_code 1010525 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,y,z x,y,-z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,1/2-z 1/2-x,1/2+y,1/2+z 1/2+x,1/2+y,1/2-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Na1 Na1+ 2 a 0. 0.583 0. 1. 0 d N1 N3+ 2 a 0. 0.083 0. 1. 0 d O1 O2- 4 c 0. 0. 0.194 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Na1+ 1.000 N3+ 3.000 O2- -2.000