#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/47/1534766.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_1534766 loop_ _publ_author_name 'Gromilov, S.A.' 'Baidina, I.A.' 'Khranenko, S.P.' 'Alekseev, V.I.' 'Belyaev, A.V.' _publ_section_title ; Synthesis and crystal structure of Li3 (Rh (N O2)6) .4(H2 O) ; _journal_name_full 'Zhurnal Neorganicheskoi Khimii' _journal_page_first 109 _journal_page_last 111 _journal_volume 39 _journal_year 1994 _chemical_formula_sum 'H8 Li3 N6 O16 Rh' _chemical_name_systematic 'Li3 (Rh (N O2)6) (H2 O)4' _space_group_IT_number 53 _symmetry_space_group_name_Hall '-P 2ac 2' _symmetry_space_group_name_H-M 'P m n a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 10.098 _cell_length_b 7.036 _cell_length_c 12.142 _cell_volume 862.683 _citation_journal_id_ASTM ZNOKAQ _cod_data_source_file Gromilov_ZNOKAQ_1994_1407.cif _cod_data_source_block H8Li3N6O16Rh1 _cod_original_cell_volume 862.6833 _cod_original_formula_sum 'H8 Li3 N6 O16 Rh1' _cod_database_code 1534766 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x,-y,-z -x+1/2,y,-z+1/2 -x,-y,-z x-1/2,y,-z-1/2 -x,y,z x-1/2,-y,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 Li2 Li+1 0.5 0.5 0.5 1 0.0 N2 N+3 0.5 0.1588 0.6403 1 0.0 O4 O-2 0.5 0.0804 0.7296 1 0.0 O5 O-2 0.3316 0.6456 0.1373 0.5 0.0 O3 O-2 0.5 0.3348 0.6388 1 0.0 N1 N+3 0.3528 0.157 0.429 1 0.0 O6 O-2 0.5 0.3008 0.1651 1 0.0 O1 O-2 0.3553 0.3342 0.4309 1 0.0 Rh1 Rh+3 0.5 0 0.5 1 0.0 O2 O-2 0.2583 0.078 0.3849 1 0.0 Li1 Li+1 0.5 0.571 0.189 1 0.0