#------------------------------------------------------------------------------ #$Date: 2015-09-28 14:37:48 +0100 (Mon, 28 Sep 2015) $ #$Revision: 158756 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532771.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_1532771 loop_ _publ_author_name 'Bukhan'ko, N.G.' 'Gribanov, A.V.' 'Tursina, A.I.' 'Malyshev, S.V.' 'Seropegin, Yu.D.' 'Bodak, O.I.' _publ_section_title ; The crystal structure of the compound Ce3 Ru4 Al12 with Gd3 Ru4 Al12 type ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 149 _journal_page_last 151 _journal_volume 367 _journal_year 2004 _chemical_formula_sum 'Al12 Ce3 Ru4' _chemical_name_systematic 'Al12 Ce3 Ru4' _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 8.8652 _cell_length_b 8.8652 _cell_length_c 9.57 _cell_volume 651.358 _citation_journal_id_ASTM JALCEU _cod_data_source_file Bukhanko_JALCEU_2004_1400.cif _cod_data_source_block Al12Ce3Ru4 _cod_original_cell_volume 651.3578 _cod_database_code 1532771 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,x-y,-z-1/2 y,x,z-1/2 -x+y,y,z -x,-x+y,z-1/2 -y,-x,z x-y,-y,z-1/2 x,x-y,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 Ce1 Ce 0.1923 0.3846 0.25 1 0.0 Al3 Al 0.1626 0.8374 0.924 1 0.0 Ru2 Ru 0 0 0 1 0.0 Al2 Al 0.5618 0.1236 0.25 1 0.0 Al1 Al 0 0 0.25 1 0.0 Ru1 Ru 0.5 0 0 1 0.0 Al4 Al 0.3333 0.6667 0.0127 1 0.0