#------------------------------------------------------------------------------ #$Date: 2016-01-09 14:53:10 +0200 (Sat, 09 Jan 2016) $ #$Revision: 174224 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542182.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_1542182 loop_ _publ_author_name 'Viebahn, W.' 'Epple, P.' _publ_section_title ; Untersuchungen an quaternaeren Fluoriden Li M(II) M(III) F6. Ueber die Kationenverteilung in Fluortrirutilen ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 45 _journal_page_last 54 _journal_volume 427 _journal_year 1976 _chemical_formula_sum 'F6 Li Rh Zn' _chemical_name_systematic 'Li Zn Rh F6' _space_group_IT_number 136 _symmetry_space_group_name_Hall '-P 4n 2n' _symmetry_space_group_name_H-M 'P 42/m n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.663 _cell_length_b 4.663 _cell_length_c 9.235 _cell_volume 200.802 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Viebahn_ZAACAB_1976_1067.cif _cod_data_source_block F6Li1Rh1Zn1 _cod_original_cell_volume 200.8019 _cod_chemical_formula_sum_orig 'F6 Li1 Rh1 Zn1' _cod_database_code 1542182 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x+1/2,z+1/2 -x,-y,z y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y,x,-z -x+1/2,y+1/2,-z+1/2 -y,-x,-z -x,-y,-z y-1/2,-x-1/2,-z-1/2 x,y,-z -y-1/2,x-1/2,-z-1/2 -x-1/2,y-1/2,z-1/2 -y,-x,z x-1/2,-y-1/2,z-1/2 y,x,z 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 Zn1 Zn+2 0 0 0.333 0.5 0.0 F2 F-1 0.3 0.3 0.333 1 0.0 F1 F-1 0.3 0.3 0 1 0.0 Li1 Li+1 0 0 0 1 0.0 Rh1 Rh+3 0 0 0.333 0.5 0.0