#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1005036.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_1005036 _chemical_name_systematic 'Cerium gold germanium (1/0.73/1.27)' _chemical_formula_structural 'Ce (Au0.73 Ge1.27)' _chemical_formula_sum 'Au.73 Ce Ge1.27' _publ_section_title ; Magnetic Behaviour of Two AlB2-Related Germanides: CePd0.63Ge1.37 and CeAu0.75Ge1.25 ; loop_ _publ_author_name 'Jones, C D W' 'Gordon, R A' 'DiSalvo, F J' 'Poettgen, R' 'Kremer, R K' _journal_name_full 'Journal of Alloys Compd.' _journal_coden_ASTM JALCEU _journal_volume 260 _journal_year 1997 _journal_page_first 50 _journal_page_last 55 _cell_length_a 4.335(1) _cell_length_b 4.335(1) _cell_length_c 4.226(1) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 68.8 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'P 6/m m m' _symmetry_Int_Tables_number 191 _symmetry_cell_setting hexagonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' 'y,x,z' 'x-y,-y,z' '-x,y-x,z' '-x,-y,z' 'y,y-x,z' 'x-y,x,z' '-y,-x,z' 'y-x,y,z' 'x,x-y,z' '-x,-y,-z' 'y,y-x,-z' 'x-y,x,-z' '-y,-x,-z' 'y-x,y,-z' 'x,x-y,-z' 'x,y,-z' '-y,x-y,-z' 'y-x,-x,-z' 'y,x,-z' 'x-y,-y,-z' '-x,y-x,-z' loop_ _atom_type_symbol _atom_type_oxidation_number Ce0 0.000 Au0 0.000 Ge0 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Ce1 Ce0 1 a 0. 0. 0. 1. 0 d Au1 Au0 2 d 0.3333 0.6667 0.5 0.365(4) 0 d Ge1 Ge0 2 d 0.3333 0.6667 0.5 0.635(4) 0 d loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_22 _atom_site_aniso_U_23 _atom_site_aniso_U_33 Ce1 0.0080(2) 0.00398(8) 0. 0.0080(2) 0. 0.0076(2) Au1 0.00681(14) 0.00341(7) 0. 0.00681(14) 0. 0.0239(2) Ge1 0.00681(14) 0.00341(7) 0. 0.00681(14) 0. 0.0239(2) _refine_ls_R_factor_all 0.0301