#------------------------------------------------------------------------------ #$Date: 2016-12-27 17:09:54 +0200 (Tue, 27 Dec 2016) $ #$Revision: 189457 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/00/1010071.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_1010071 loop_ _publ_author_name 'Keesom, W. H.' 'Taconis, K. W.' _publ_section_title ; On the crystal structure of solid oxygen-\g ; _journal_coden_ASTM PKNAAU _journal_name_full ; Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen ; _journal_page_first 149 _journal_page_last 149 _journal_volume 39 _journal_year 1936 _chemical_formula_structural O2 _chemical_formula_sum O2 _chemical_name_systematic 'Dioxygen - \g' _space_group_IT_number 205 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 205 _symmetry_space_group_name_Hall '-P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P a -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 6.83 _cell_length_b 6.83 _cell_length_c 6.83 _cell_volume 318.6 _cod_database_code 1010071 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2-y,-z -x,1/2+y,1/2-z 1/2-x,-y,1/2+z y,z,x 1/2-y,-z,1/2+x 1/2+y,1/2-z,-x -y,1/2+z,1/2-x z,x,y -z,1/2+x,1/2-y 1/2-z,-x,1/2+y 1/2+z,1/2-x,-y -x,-y,-z 1/2-x,1/2+y,z x,1/2-y,1/2+z 1/2+x,y,1/2-z -y,-z,-x 1/2+y,z,1/2-x 1/2-y,1/2+z,x y,1/2-z,1/2+x -z,-x,-y z,1/2-x,1/2+y 1/2+z,x,1/2-y 1/2-z,1/2+x,y loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z ? ? ? ?