#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/20/1542094.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_1542094 loop_ _publ_author_name 'Thirion, F.' 'Steinmetz, J.' 'Venturini, G.' 'Malaman, B.' 'Roques, B.' _publ_section_title ; Structures cristallines de Zr6 Cu8 Si12 et Hf2 Cu Ge4 et caracterisation d'une famille de composes semimetalliques "pseudolamellaires" de formule Zr Si2 Cux ou x= 0.5, 1 et 1.33 ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 47 _journal_page_last 54 _journal_volume 95 _journal_year 1983 _chemical_formula_sum 'Cu Ge4 Hf2' _chemical_name_systematic 'Hf2 Cu Ge4' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 3.758 _cell_length_b 32.94 _cell_length_c 3.749 _cell_volume 464.083 _citation_journal_id_ASTM JCOMAH _cod_data_source_file Thirion_JCOMAH_1983_1855.cif _cod_data_source_block Cu1Ge4Hf2 _cod_original_cell_volume 464.0831 _cod_original_formula_sum 'Cu1 Ge4 Hf2' _cod_database_code 1542094 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y,z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 -x+1/2,y+1/2,z x+1/2,-y+1/2,z-1/2 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 Cu1 Cu 0 0.75 0.25 1 0.0 Ge1 Ge 0 0.475 0.25 1 0.0 Ge4 Ge 0 0.204 0.25 1 0.0 Ge3 Ge 0 0.885 0.25 1 0.0 Ge2 Ge 0 0.615 0.25 1 0.0 Hf2 Hf 0 0.325 0.25 1 0.0 Hf1 Hf 0 0.05 0.25 1 0.0