#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1005037.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_1005037 _chemical_name_systematic 'Cerium cobalt silicide (2/1/3)' _chemical_formula_structural 'Ce2 Co Si3' _chemical_formula_sum 'Ce2 Co Si3' _publ_section_title ; Substitution in Ce2 T Si3 intermetallic compositions with T = (Cr, Mn, Fe, Co, or Ni)x (Pd or Au)1-x ; loop_ _publ_author_name 'Gordon, R A' 'Warren, C J' 'Alexander, M G' 'DiSalvo, F J' 'Poettgen, R' _journal_name_full 'Journal of Alloys Compd.' _journal_coden_ASTM JALCEU _journal_volume 248 _journal_year 1997 _journal_page_first 24 _journal_page_last 32 _cell_length_a 8.104(2) _cell_length_b 8.104(2) _cell_length_c 4.197(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 238.7 _cell_formula_units_Z 2 _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 Co0 0.000 Si0 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 Ce2 Ce0 3 f 0.5 0. 0. 1. 0 d Co1 Co0 2 d 0.3333 0.6667 0.5 1. 0 d Si1 Si0 6 m 0.1702(1) 0.3403(2) 0.5 1. 0 d _refine_ls_R_factor_all 0.027