#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/10/1011029.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_1011029 loop_ _publ_author_name 'Elliott, N' _publ_section_title ; A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate ; _journal_coden_ASTM JACSAT _journal_name_full 'Journal of the American Chemical Society' _journal_page_first 1380 _journal_page_last 1382 _journal_volume 59 _journal_year 1937 _chemical_compound_source synthetic _chemical_formula_structural 'Na (N O3)' _chemical_formula_sum 'N Na O3' _chemical_name_mineral Nitratine _chemical_name_systematic 'Sodium nitrate' _symmetry_cell_setting trigonal _symmetry_Int_Tables_number 167 _symmetry_space_group_name_H-M 'R -3 c RS' _cell_angle_alpha 47.25 _cell_angle_beta 47.25 _cell_angle_gamma 47.25 _cell_formula_units_Z 2 _cell_length_a 6.32 _cell_length_b 6.32 _cell_length_c 6.32 _cell_volume 124.5 _exptl_crystal_density_meas 2.26 _cod_database_code 1011029 loop_ _symmetry_equiv_pos_as_xyz x,y,z z,x,y y,z,x -y,-x,-z -x,-z,-y -z,-y,-x 1/2-x,1/2-y,1/2-z 1/2-y,1/2-z,1/2-x 1/2-z,1/2-x,1/2-y 1/2+y,1/2+x,1/2+z 1/2+x,1/2+z,1/2+y 1/2+z,1/2+y,1/2+x 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 b 0.25 0.25 0.25 1. 0 d N1 N5+ 2 a 0. 0. 0. 1. 0 d O1 O2- 6 e 0.2394(5) -0.2394 0. 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Na1+ 1.000 N5+ 5.000 O2- -2.000 _journal_paper_doi 10.1021/ja01286a065