#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/99/1509933.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_1509933 loop_ _publ_author_name 'Seff, K.' 'Kim, Y.' 'Jeong, M.S.' _publ_section_title ; Crystal structures of dehydrated zeolite Ag5.6 K6.4-A and of the product of its reaction with cesium: Cs13.5 Ag4.5-A, containing silver and cationic cesium clusters ; _journal_name_full 'Journal of Physical Chemistry' _journal_page_first 10139 _journal_page_last 10143 _journal_volume 97 _journal_year 1993 _chemical_formula_sum 'Ag5.6 Al12 K6.4 O48 Si12' _chemical_name_systematic 'Ag5.6 K6.4 (Al12 Si12 O48)' _space_group_IT_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _symmetry_space_group_name_H-M 'P m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 12.255 _cell_length_b 12.255 _cell_length_c 12.255 _cell_volume 1840.517 _citation_journal_id_ASTM JPCHAX _[local]_cod_data_source_file silver3-x_227.cif _[local]_cod_data_source_block Ag5.6Al12K6.4O48Si12 _cod_original_cell_volume 1840.518 _cod_database_code 1509933 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z z,x,y -x,z,y -z,-x,y x,-z,y z,-x,-y x,z,-y -z,x,-y -x,-z,-y y,z,x y,-z,-x z,y,-x -y,z,-x -z,-y,-x -y,-z,x z,-y,x -z,y,x -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z -z,-x,-y x,-z,-y z,x,-y -x,z,-y -z,x,y -x,-z,y z,-x,y x,z,y -y,-z,-x -y,z,x -z,-y,x y,-z,x z,y,x y,z,-x -z,y,-x z,-y,-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 K2 K+1 0.226 0.226 0.226 0.425 0.0 O2 O-2 0 0.2929 0.2929 1 0.0 Ag1 Ag+1 0.1928 0.1928 0.1928 0.575 0.0 O1 O-2 0 0.2273 0.5 1 0.0 Si1 Si+4 0 0.1845 0.3729 0.5 0.0 Ag2 Ag+1 0 0 0.169 0.1667 0.0 Al1 Al+3 0 0.1845 0.3729 0.5 0.0 K1 K+1 0 0.4628 0.4628 0.25 0.0 O3 O-2 0.1122 0.1122 0.345 1 0.0 _journal_paper_doi 10.1021/j100141a040