#------------------------------------------------------------------------------ #$Date: 2015-09-28 11:06:14 +0100 (Mon, 28 Sep 2015) $ #$Revision: 158521 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/25/1532584.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_1532584 loop_ _publ_author_name 'Ikeda, T.' 'Kodaira, T.' 'Oh, T.' 'Nisawa, A.' _publ_section_title ; K(+) ion distribution in zeolite ZK-4's with various Si/Al ratios and the contribution of K(+) ions to K cluster formation ; _journal_name_full 'Microporous and Mesoporous Materials' _journal_page_first 249 _journal_page_last 261 _journal_volume 57 _journal_year 2003 _chemical_formula_sum 'Al90.4 H2.08 K88.32 O384 Si101.6' _chemical_name_systematic 'K88.32 H2.08 (Al90.4 Si101.6 O384)' _space_group_IT_number 226 _symmetry_space_group_name_Hall '-F 4a 2 3' _symmetry_space_group_name_H-M 'F m -3 c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 24.4848 _cell_length_b 24.4848 _cell_length_c 24.4848 _cell_volume 14678.771 _citation_journal_id_ASTM MIMMFJ _cod_data_source_file Ikeda_MIMMFJ_2003_492.cif _cod_data_source_block H2.08Al90.4K88.32O384Si101.6 _cod_original_cell_volume 14678.77 _cod_chemical_formula_sum_orig 'H2.08 Al90.4 K88.32 O384 Si101.6' _cod_database_code 1532584 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x,z -x+1/2,-y+1/2,z y,-x+1/2,z x,-y,-z y+1/2,x,-z -x+1/2,y+1/2,-z -y,-x+1/2,-z z,x,y -x+1/2,z,y -z+1/2,-x+1/2,y x,-z+1/2,y z,-x,-y x+1/2,z,-y -z+1/2,x+1/2,-y -x,-z+1/2,-y y,z,x y,-z+1/2,-x+1/2 z,y,-x+1/2 -y+1/2,z,-x+1/2 -z+1/2,-y,-x -y,-z,x z,-y,x+1/2 -z+1/2,y+1/2,x+1/2 -x,-y,-z y-1/2,-x,-z x-1/2,y-1/2,-z -y,x-1/2,-z -x,y,z -y-1/2,-x,z x-1/2,-y-1/2,z y,x-1/2,z -z,-x,-y x-1/2,-z,-y z-1/2,x-1/2,-y -x,z-1/2,-y -z,x,y -x-1/2,-z,y z-1/2,-x-1/2,y x,z-1/2,y -y,-z,-x -y,z-1/2,x-1/2 -z,-y,x-1/2 y-1/2,-z,x-1/2 z-1/2,y,x y,z,-x -z,y,-x-1/2 z-1/2,-y-1/2,-x-1/2 x,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1,z+1/2 y,-x+1,z+1/2 x,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1,-z+1/2 -y,-x+1,-z+1/2 z,x+1/2,y+1/2 -x+1/2,z+1/2,y+1/2 -z+1/2,-x+1,y+1/2 x,-z+1,y+1/2 z,-x+1/2,-y+1/2 x+1/2,z+1/2,-y+1/2 -z+1/2,x+1,-y+1/2 -x,-z+1,-y+1/2 y,z+1/2,x+1/2 y,-z+1,-x+1 z,y+1/2,-x+1 -y+1/2,z+1/2,-x+1 -z+1/2,-y+1/2,-x+1/2 -y,-z+1/2,x+1/2 z,-y+1/2,x+1 -z+1/2,y+1,x+1 -x,-y+1/2,-z+1/2 y-1/2,-x+1/2,-z+1/2 x-1/2,y,-z+1/2 -y,x,-z+1/2 -x,y+1/2,z+1/2 -y-1/2,-x+1/2,z+1/2 x-1/2,-y,z+1/2 y,x,z+1/2 -z,-x+1/2,-y+1/2 x-1/2,-z+1/2,-y+1/2 z-1/2,x,-y+1/2 -x,z,-y+1/2 -z,x+1/2,y+1/2 -x-1/2,-z+1/2,y+1/2 z-1/2,-x,y+1/2 x,z,y+1/2 -y,-z+1/2,-x+1/2 -y,z,x -z,-y+1/2,x y-1/2,-z+1/2,x z-1/2,y+1/2,x+1/2 y,z+1/2,-x+1/2 -z,y+1/2,-x z-1/2,-y,-x x+1/2,y,z+1/2 -y+1,x,z+1/2 -x+1,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y,-z+1/2 y+1,x,-z+1/2 -x+1,y+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 z+1/2,x,y+1/2 -x+1,z,y+1/2 -z+1,-x+1/2,y+1/2 x+1/2,-z+1/2,y+1/2 z+1/2,-x,-y+1/2 x+1,z,-y+1/2 -z+1,x+1/2,-y+1/2 -x+1/2,-z+1/2,-y+1/2 y+1/2,z,x+1/2 y+1/2,-z+1/2,-x+1 z+1/2,y,-x+1 -y+1,z,-x+1 -z+1,-y,-x+1/2 -y+1/2,-z,x+1/2 z+1/2,-y,x+1 -z+1,y+1/2,x+1 -x+1/2,-y,-z+1/2 y,-x,-z+1/2 x,y-1/2,-z+1/2 -y+1/2,x-1/2,-z+1/2 -x+1/2,y,z+1/2 -y,-x,z+1/2 x,-y-1/2,z+1/2 y+1/2,x-1/2,z+1/2 -z+1/2,-x,-y+1/2 x,-z,-y+1/2 z,x-1/2,-y+1/2 -x+1/2,z-1/2,-y+1/2 -z+1/2,x,y+1/2 -x,-z,y+1/2 z,-x-1/2,y+1/2 x+1/2,z-1/2,y+1/2 -y+1/2,-z,-x+1/2 -y+1/2,z-1/2,x -z+1/2,-y,x y,-z,x z,y,x+1/2 y+1/2,z,-x+1/2 -z+1/2,y,-x z,-y-1/2,-x x+1/2,y+1/2,z -y+1,x+1/2,z -x+1,-y+1,z y+1/2,-x+1,z x+1/2,-y+1/2,-z y+1,x+1/2,-z -x+1,y+1,-z -y+1/2,-x+1,-z z+1/2,x+1/2,y -x+1,z+1/2,y -z+1,-x+1,y x+1/2,-z+1,y z+1/2,-x+1/2,-y x+1,z+1/2,-y -z+1,x+1,-y -x+1/2,-z+1,-y y+1/2,z+1/2,x y+1/2,-z+1,-x+1/2 z+1/2,y+1/2,-x+1/2 -y+1,z+1/2,-x+1/2 -z+1,-y+1/2,-x -y+1/2,-z+1/2,x z+1/2,-y+1/2,x+1/2 -z+1,y+1,x+1/2 -x+1/2,-y+1/2,-z y,-x+1/2,-z x,y,-z -y+1/2,x,-z -x+1/2,y+1/2,z -y,-x+1/2,z x,-y,z y+1/2,x,z -z+1/2,-x+1/2,-y x,-z+1/2,-y z,x,-y -x+1/2,z,-y -z+1/2,x+1/2,y -x,-z+1/2,y z,-x,y x+1/2,z,y -y+1/2,-z+1/2,-x -y+1/2,z,x-1/2 -z+1/2,-y+1/2,x-1/2 y,-z+1/2,x-1/2 z,y+1/2,x y+1/2,z+1/2,-x -z+1/2,y+1/2,-x-1/2 z,-y,-x-1/2 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 Al1 Al+3 0 0.0947 0.1881 0.4708 0.0 K4 K+1 0.25 0.165 0.165 0.055 0.0 O1 O-2 0 0.1198 0.2474 1 0.0 O2 O-2 0 0.1454 0.1392 1 0.0 K1 K+1 0.117 0.117 0.117 0.741 0.0 O3 O-2 0.0512 0.0595 0.1784 1 0.0 K2 K+1 0.0746 0.0746 0.0746 0.209 0.0 Si1 Si+4 0 0.0947 0.1881 0.5292 0.0 Si2 Si+4 0 0.1892 0.0926 0.5292 0.0 Al2 Al+3 0 0.1892 0.0926 0.4708 0.0 K3 K+1 0 0.241 0.237 0.2316 0.0