#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/00/1510021.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_1510021 loop_ _publ_author_name 'Jansen, M.' 'Soergel, T.' _publ_section_title ; Ag3 Ni2 O4: A new stage-2 intercalation compound of 2H-Ag Ni O2 and physical properties of 2H-Ag Ni O2 above ambient temperature ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 8 _journal_page_last 15 _journal_paper_doi 10.1016/j.jssc.2006.08.033 _journal_volume 180 _journal_year 2007 _chemical_formula_sum 'Ag3 Ni2 O4' _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 2.9331 _cell_length_b 2.9331 _cell_length_c 28.313 _cell_volume 210.945 _citation_journal_id_ASTM JSSCBI _cod_data_source_file silver3-x_62.cif _cod_data_source_block Ag3Ni2O4 _cod_original_cell_volume 210.9455 _cod_database_code 1510021 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,x-y,-z-1/2 y,x,z-1/2 -x+y,y,z -x,-x+y,z-1/2 -y,-x,z x-y,-y,z-1/2 x,x-y,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 O2 O-2 0 0 0.8949 1 0.0 Ag1 Ag+1 0.3333 0.6667 0.25 1 0.0 Ni1 Ni+3 0.3333 0.6667 0.858 1 0.0 O1 O-2 0.3333 0.6667 0.1774 1 0.0 Ag2 Ag 0.3333 0.6667 0.0402 1 0.0