#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/00/1510002.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_1510002 loop_ _publ_author_name 'Kim, Y.' 'Lee, S.H.' 'Seff, K.' _publ_section_title ; Erratum to: "Weak Ag(+) - Ag(+) bonding in zeolite X. Crystal structures of Ag92 Si100 Al92 O384 hydrated and fully dehydrated in flowing oxygen" ; _journal_name_full 'Microporous and Mesoporous Materials' _journal_page_first 61 _journal_page_last 63 _journal_paper_doi 10.1016/S1387-1811(02)00277-9 _journal_volume 52 _journal_year 2002 _chemical_formula_sum 'Ag92 Al92 O384 Si100' _chemical_name_systematic 'Ag92 (Al92 Si100 O384)' _space_group_IT_number 203 _symmetry_space_group_name_Hall '-F 2uv 2vw 3' _symmetry_space_group_name_H-M 'F d -3 :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 25.2 _cell_length_b 25.2 _cell_length_c 25.2 _cell_volume 16003.008 _citation_journal_id_ASTM MIMMFJ _cod_data_source_file silver3-x_315.cif _cod_data_source_block Ag92Al92O384Si100 _cod_original_cell_volume 16003.01 _cod_database_code 1510002 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/4,-y+1/4,z x,-y+1/4,-z+1/4 -x+1/4,y,-z+1/4 z,x,y -z+1/4,-x+1/4,y z,-x+1/4,-y+1/4 -z+1/4,x,-y+1/4 y,z,x y,-z+1/4,-x+1/4 -y+1/4,z,-x+1/4 -y+1/4,-z+1/4,x -x,-y,-z x-1/4,y-1/4,-z -x,y-1/4,z-1/4 x-1/4,-y,z-1/4 -z,-x,-y z-1/4,x-1/4,-y -z,x-1/4,y-1/4 z-1/4,-x,y-1/4 -y,-z,-x -y,z-1/4,x-1/4 y-1/4,-z,x-1/4 y-1/4,z-1/4,-x x,y+1/2,z+1/2 -x+1/4,-y+3/4,z+1/2 x,-y+3/4,-z+3/4 -x+1/4,y+1/2,-z+3/4 z,x+1/2,y+1/2 -z+1/4,-x+3/4,y+1/2 z,-x+3/4,-y+3/4 -z+1/4,x+1/2,-y+3/4 y,z+1/2,x+1/2 y,-z+3/4,-x+3/4 -y+1/4,z+1/2,-x+3/4 -y+1/4,-z+3/4,x+1/2 -x,-y+1/2,-z+1/2 x-1/4,y+1/4,-z+1/2 -x,y+1/4,z+1/4 x-1/4,-y+1/2,z+1/4 -z,-x+1/2,-y+1/2 z-1/4,x+1/4,-y+1/2 -z,x+1/4,y+1/4 z-1/4,-x+1/2,y+1/4 -y,-z+1/2,-x+1/2 -y,z+1/4,x+1/4 y-1/4,-z+1/2,x+1/4 y-1/4,z+1/4,-x+1/2 x+1/2,y,z+1/2 -x+3/4,-y+1/4,z+1/2 x+1/2,-y+1/4,-z+3/4 -x+3/4,y,-z+3/4 z+1/2,x,y+1/2 -z+3/4,-x+1/4,y+1/2 z+1/2,-x+1/4,-y+3/4 -z+3/4,x,-y+3/4 y+1/2,z,x+1/2 y+1/2,-z+1/4,-x+3/4 -y+3/4,z,-x+3/4 -y+3/4,-z+1/4,x+1/2 -x+1/2,-y,-z+1/2 x+1/4,y-1/4,-z+1/2 -x+1/2,y-1/4,z+1/4 x+1/4,-y,z+1/4 -z+1/2,-x,-y+1/2 z+1/4,x-1/4,-y+1/2 -z+1/2,x-1/4,y+1/4 z+1/4,-x,y+1/4 -y+1/2,-z,-x+1/2 -y+1/2,z-1/4,x+1/4 y+1/4,-z,x+1/4 y+1/4,z-1/4,-x+1/2 x+1/2,y+1/2,z -x+3/4,-y+3/4,z x+1/2,-y+3/4,-z+1/4 -x+3/4,y+1/2,-z+1/4 z+1/2,x+1/2,y -z+3/4,-x+3/4,y z+1/2,-x+3/4,-y+1/4 -z+3/4,x+1/2,-y+1/4 y+1/2,z+1/2,x y+1/2,-z+3/4,-x+1/4 -y+3/4,z+1/2,-x+1/4 -y+3/4,-z+3/4,x -x+1/2,-y+1/2,-z x+1/4,y+1/4,-z -x+1/2,y+1/4,z-1/4 x+1/4,-y+1/2,z-1/4 -z+1/2,-x+1/2,-y z+1/4,x+1/4,-y -z+1/2,x+1/4,y-1/4 z+1/4,-x+1/2,y-1/4 -y+1/2,-z+1/2,-x -y+1/2,z+1/4,x-1/4 y+1/4,-z+1/2,x-1/4 y+1/4,z+1/4,-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 O4 O-2 -0.07 0.0766 0.177 1 0.0 Si1 Si+4 -0.0544 0.1248 0.0351 1 0.0 Ag3 Ag+1 0.0747 0.0747 0.0747 0.1875 0.0 O2 O-2 -0.0012 -0.0027 0.1424 1 0.0 O3 O-2 -0.0345 0.0742 0.0711 1 0.0 Ag6 Ag+1 0.1005 0.1494 0.3946 0.1667 0.0 Al1 Al+3 -0.0551 0.036 0.1243 0.9583 0.0 Ag2 Ag+1 0.0369 0.0369 0.0369 0.8125 0.0 Ag5 Ag+1 0.125 0.125 0.2001 0.0417 0.0 Ag4 Ag+1 0.2219 0.2219 0.2219 1 0.0 O1 O-2 0.8917 -0.0004 0.105 1 0.0 Ag7 Ag+1 0.3006 0.1552 0.4489 0.0417 0.0 Ag8 Ag+1 0.2622 0.1663 0.4327 0.0313 0.0 Si2 Si+4 -0.0551 0.036 0.1243 0.0417 0.0 Ag1 Ag+1 0 0 0 0.1875 0.0