#------------------------------------------------------------------------------ #$Date: 2015-07-10 12:19:39 +0300 (Fri, 10 Jul 2015) $ #$Revision: 141604 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/13/1521395.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_1521395 loop_ _publ_author_name 'Khranenko, S.P.' 'Belyaev, A.V.' 'Gromilov, S.A.' 'Virovets, A.V.' 'Baidina, I.A.' _publ_section_title ; Synthesis and crystal structure of Li2 (Pd (N O2)4) . 2(H2 O) ; _journal_name_full 'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)' _journal_page_first 383 _journal_page_last 387 _journal_volume 40 _journal_year 1999 _chemical_formula_sum 'H4 Li2 N4 O10 Pd' _chemical_name_systematic 'Li2 (Pd (N O2)4) (H2 O)2' _space_group_IT_number 52 _symmetry_space_group_name_Hall '-P 2a 2bc' _symmetry_space_group_name_H-M 'P n n a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.2877 _cell_length_b 8.4286 _cell_length_c 10.767 _cell_volume 1024.367 _citation_journal_id_ASTM ZSTKAI _cod_data_source_file Khranenko_ZSTKAI_1999_931.cif _cod_data_source_block H4Li2N4O10Pd1 _cod_chemical_formula_sum_orig 'H4 Li2 N4 O10 Pd1' _cod_database_code 1521395 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z x,-y+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -x,-y,-z x-1/2,y,-z -x,y-1/2,z-1/2 x-1/2,-y-1/2,z-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 N2 N+3 0.25 0 0.8887 1 0.0 N3 N+3 0.25 0 0.2665 1 0.0 O1 O-2 0.0946 0.2619 0.0299 1 0.0 O6 O-2 0.0361 0.25 0.75 1 0.0 O4 O-2 0.321 0.0797 0.3206 1 0.0 Li1 Li+1 0.1179 0.3459 0.8682 1 0.0 O5 O-2 0.3577 0.0754 0.5811 0.5 0.0 Pd1 Pd+2 0.25 0 0.0774 1 0.0 O2 O-2 0.0142 0.0842 0.1417 1 0.0 O3 O-2 0.2362 0.1245 0.8292 1 0.0 N1 N+3 0.0997 0.132 0.0825 1 0.0