#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/96/1509682.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_1509682 loop_ _publ_author_name 'Wedig, U.' 'Nuss, J.' 'Modrow, H.' 'Adler, P.' 'Jansen, M.' _publ_section_title ; Studies on the electronic structure of Ag2 Ni O2, an intercalated delafossite containing subvalent silver ; _journal_name_full 'Solid State Sciences' _journal_page_first 753 _journal_page_last 763 _journal_paper_doi 10.1016/j.solidstatesciences.2006.04.004 _journal_volume 8 _journal_year 2006 _chemical_formula_sum 'Ag2 Ni O2' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 101.836 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.0488 _cell_length_b 2.9149 _cell_length_c 8.205 _cell_volume 118.184 _citation_journal_id_ASTM SSSCFJ _cod_data_source_file silver2-3_140.cif _cod_data_source_block Ag2Ni1O2 _cod_original_cell_volume 118.1836 _cod_original_formula_sum 'Ag2 Ni1 O2' _cod_database_code 1509682 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,z x+1/2,y+1/2,z -x+1/2,y+1/2,-z -x+1/2,-y+1/2,-z x+1/2,-y+1/2,z 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 Ni1 Ni+2 0 0 0 1 0.0 O1 O-2 0.3894 0 0.1267 1 0.0 Ag1 Ag+1 -0.2089 0 0.35887 1 0.0