#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/12/41/4124109.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_4124109 loop_ _publ_author_name 'Salvado, M.A.' 'Trobajo, C.' 'Pertierra, P.' 'Garcia, J.R.' _publ_section_title ; Crystal structure of a cerium(IV) bis(phosphate) derivative ; _journal_name_full 'Journal of the American Chemical Society' _journal_page_first 10970 _journal_page_last 10971 _journal_volume 129 _journal_year 2007 _chemical_formula_sum 'Ce K2 O8 P2' _chemical_name_systematic 'K2 Ce (P O4)2' _space_group_IT_number 141 _symmetry_space_group_name_Hall 'I 4bw 2bw -1bw' _symmetry_space_group_name_H-M 'I 41/a m d :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.0325 _cell_length_b 7.0325 _cell_length_c 16.6798 _cell_volume 824.917 _citation_journal_id_ASTM JACSAT _cod_data_source_file Salvado_JACSAT_2007_1342.cif _cod_data_source_block Ce1K2O8P2 _cod_original_cell_volume 824.9171 _cod_original_sg_symbol_Hall '-I 4bd 2 (x+1/2,y+1/4,z+1/8)' _cod_chemical_formula_sum_orig 'Ce1 K2 O8 P2' _cod_database_code 4124109 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x+1/2,z+1/4 -x+1/2,-y+1/2,z+1/2 y+1/2,-x,z+3/4 x,-y+1/2,-z+1/4 y+1/2,x+1/2,-z+1/2 -x+1/2,y,-z+3/4 -y,-x,-z -x,-y+1/2,-z+1/4 y,-x,-z x-1/2,y,-z-1/4 -y-1/2,x+1/2,-z-1/2 -x,y,z -y-1/2,-x,z-1/4 x-1/2,-y+1/2,z-1/2 y,x+1/2,z+1/4 x+1/2,y+1/2,z+1/2 -y+1/2,x+1,z+3/4 -x+1,-y+1,z+1 y+1,-x+1/2,z+5/4 x+1/2,-y+1,-z+3/4 y+1,x+1,-z+1 -x+1,y+1/2,-z+5/4 -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1,-z+3/4 y+1/2,-x+1/2,-z+1/2 x,y+1/2,-z+1/4 -y,x+1,-z -x+1/2,y+1/2,z+1/2 -y,-x+1/2,z+1/4 x,-y+1,z y+1/2,x+1,z+3/4 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 K1 K+1 -0.75 0 0.375 1 0.0 O1 O-2 -0.82549 0.5 0.48679 1 0.0 P1 P+5 -0.5 0 0.9313 1 0.0 Ce1 Ce+4 -0.5 0.5 0.5 1 0.0 O2 O-2 -1 0.32515 0.37447 1 0.0