#------------------------------------------------------------------------------ #$Date: 2009-11-23 09:55:07 +0200 (Mon, 23 Nov 2009) $ #$Revision: 904 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1010071.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 _chemical_name_systematic 'Dioxygen - $-gamma' _chemical_formula_structural 'O2' _chemical_formula_sum 'O2' _publ_section_title ; On the crystal structure of solid oxygen-$-gamma ; loop_ _publ_author_name 'Keesom, W H' 'Taconis, K W' _journal_name_full ; Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen ; _journal_coden_ASTM PKNAAU _journal_volume 39 _journal_year 1936 _journal_page_first 149 _journal_page_last 149 _cell_length_a 6.83 _cell_length_b 6.83 _cell_length_c 6.83 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 318.6 _cell_formula_units_Z 8 _symmetry_space_group_name_H-M 'P a -3' _symmetry_Int_Tables_number 205 _symmetry_cell_setting cubic 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 ? ? ? ?