#------------------------------------------------------------------------------ #$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $ #$Revision: 177123 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/91/00/5910052.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_5910052 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Pages 238 & 241 from the second edition of Structure of Crystals by Wyckoff R W G.published by The Chemical Catalog Company, INC, New York in 1931. ; _journal_name_full 'The second edition of Structure of Crystals' _journal_page_first 238 _journal_page_last 241 _journal_year 1931 _chemical_formula_structural NdC2 _chemical_formula_sum 'C2 Nd' _chemical_name_systematic 'Neodymium carbide' _space_group_IT_number 139 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _audit_creation_date 2005-30-10 _audit_creation_method ; Pages 238 & 241 from the second edition of Structure of Crystals by Wyckoff R W G.published by The Chemical Catalog Company, INC, New York in 1931. ; _audit_update_record 'created by Girish Upreti, Portland State University' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 3.82 _cell_length_b 3.82 _cell_length_c 6.23 _cell_volume 90.911 _cod_original_sg_symbol_H-M 'I4/m m m' _cod_original_formula_sum 'Nd C2' _cod_database_code 5910052 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z y,-x,z x,-y,-z -x,y,-z -x,-y,z y,x,-z -y,-x,-z -x,-y,-z y,-x,-z -y,x,-z -x,y,z x,-y,z x,y,-z -y,-x,z y,x,z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,x+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,-x+1/2,z+1/2 y+1/2,x+1/2,z+1/2 loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.00000 0.00000 0.00000 Nd1 0.50000 0.50000 0.50000 Nd2 0.00000 0.00000 0.38000 C1 0.00000 0.00000 -0.38000 C2