#------------------------------------------------------------------------------ #$Date: 2016-01-03 11:57:49 +0200 (Sun, 03 Jan 2016) $ #$Revision: 172633 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/43/8104339.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_8104339 loop_ _publ_author_name 'Obermeyer, A.' 'Borrmann, H.' 'Simon, A.' _publ_section_title ; Die Phasenzusammenhaenge zwischen kubischem und monoklinem N2 O4 ; _journal_name_full 'Zeitschrift fuer Kristallographie (149,1979-)' _journal_page_first 129 _journal_page_last 135 _journal_volume 196 _journal_year 1991 _chemical_formula_sum 'N O2' _chemical_name_systematic 'N O2' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 125.73 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.441 _cell_length_b 4.758 _cell_length_c 6.5343 _cell_volume 162.560 _citation_journal_id_ASTM ZEKRDZ _cod_data_source_file Obermeyer_ZEKRDZ_1991_631.cif _cod_data_source_block N1O2 _cod_original_cell_volume 162.5601 _cod_chemical_formula_sum_orig 'N1 O2' _cod_database_code 8104339 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-y-1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv N1 N 0.8421 0.0019 0.8628 1 0.0 O1 O 0.7206 0.1892 0.8603 1 0.0 O2 O 0.7988 0.817 0.7231 1 0.0