#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/94/1539489.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_1539489 loop_ _publ_author_name 'Vielhaber, E.' 'Hoppe, R.' _publ_section_title ; Ueber Oxocadmate der Alkalimetalle (I) ; _journal_name_full 'Revue de Chimie Minerale' _journal_page_first 169 _journal_page_last 181 _journal_volume 6 _journal_year 1969 _chemical_formula_sum 'Cd Na2 O2' _chemical_name_systematic 'Na2 Cd O2' _space_group_IT_number 206 _symmetry_space_group_name_Hall '-I 2b 2c 3' _symmetry_space_group_name_H-M 'I a -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 16 _cell_length_a 10.715 _cell_length_b 10.715 _cell_length_c 10.715 _cell_volume 1230.202 _citation_journal_id_ASTM RVCMA8 _cod_data_source_file Vielhaber_RVCMA8_1969_115.cif _cod_data_source_block Cd1Na2O2 _cod_original_formula_sum 'Cd1 Na2 O2' _cod_database_code 1539489 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y+1/2,z x,-y,-z+1/2 -x,y+1/2,-z+1/2 z,x,y -z,-x+1/2,y z,-x,-y+1/2 -z,x+1/2,-y+1/2 y,z,x y,-z,-x+1/2 -y,z+1/2,-x+1/2 -y+1/2,-z,x+1/2 -x,-y,-z x,y-1/2,-z -x,y,z-1/2 x,-y-1/2,z-1/2 -z,-x,-y z,x-1/2,-y -z,x,y-1/2 z,-x-1/2,y-1/2 -y,-z,-x -y,z,x-1/2 y,-z-1/2,x-1/2 y-1/2,z,-x-1/2 x+1/2,y+1/2,z+1/2 -x+1/2,-y+1,z+1/2 x+1/2,-y+1/2,-z+1 -x+1/2,y+1,-z+1 z+1/2,x+1/2,y+1/2 -z+1/2,-x+1,y+1/2 z+1/2,-x+1/2,-y+1 -z+1/2,x+1,-y+1 y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1 -y+1/2,z+1,-x+1 -y+1,-z+1/2,x+1 -x+1/2,-y+1/2,-z+1/2 x+1/2,y,-z+1/2 -x+1/2,y+1/2,z x+1/2,-y,z -z+1/2,-x+1/2,-y+1/2 z+1/2,x,-y+1/2 -z+1/2,x+1/2,y z+1/2,-x,y -y+1/2,-z+1/2,-x+1/2 -y+1/2,z+1/2,x y+1/2,-z,x y,z+1/2,-x 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 Na1 Na+1 0.347 0.118 0.108 0.667 0.0 Cd1 Cd+2 0.347 0.118 0.108 0.333 0.0 O1 O-2 -0.03 0 0.25 1 0.0 O2 O-2 0.25 0.25 0.25 1 0.0