#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/06/1010631.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_1010631 loop_ _publ_author_name 'Morral, F R' 'Westgren, A' _publ_section_title ; The crystal structure of a complex copper-silicon compound ; _journal_coden_ASTM ARKGBK _journal_issue 37 _journal_name_full 'Arkiv foer Kemi, Mineralogi och Geologi, B' _journal_page_first 1 _journal_page_last 6 _journal_volume 11 _journal_year 1934 _chemical_formula_structural 'Cu15 Si4' _chemical_formula_sum 'Cu15 Si4' _chemical_name_systematic 'Copper silicide (15/4)' _space_group_IT_number 220 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 220 _symmetry_space_group_name_Hall 'I -4bd 2c 3' _symmetry_space_group_name_H-M 'I -4 3 d' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.694 _cell_length_b 9.694 _cell_length_c 9.694 _cell_volume 911.0 _cod_database_code 1010631 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2-y,-z -x,1/2+y,1/2-z 1/2-x,-y,1/2+z 1/4+x,1/4+z,1/4+y 3/4+x,1/4-z,3/4-y 1/4-x,3/4-z,3/4+y 3/4-x,3/4+z,1/4-y y,z,x 1/2-y,-z,1/2+x 1/2+y,1/2-z,-x -y,1/2+z,1/2-x 1/4+z,1/4+y,1/4+x 1/4-z,3/4-y,3/4+x 3/4-z,3/4+y,1/4-x 3/4+z,1/4-y,3/4-x z,x,y -z,1/2+x,1/2-y 1/2-z,-x,1/2+y 1/2+z,1/2-x,-y 1/4+y,1/4+x,1/4+z 3/4-y,3/4+x,1/4-z 3/4+y,1/4-x,3/4-z 1/4-y,3/4-x,3/4+z 1/2+x,1/2+y,1/2+z x,-y,1/2-z 1/2-x,y,-z -x,1/2-y,z 3/4+x,3/4+z,3/4+y 1/4+x,3/4-z,1/4-y 3/4-x,1/4-z,1/4+y 1/4-x,1/4+z,3/4-y 1/2+y,1/2+z,1/2+x -y,1/2-z,x y,-z,1/2-x 1/2-y,z,-x 3/4+z,3/4+y,3/4+x 3/4-z,1/4-y,1/4+x 1/4-z,1/4+y,3/4-x 1/4+z,3/4-y,1/4-x 1/2+z,1/2+x,1/2+y 1/2-z,x,-y -z,1/2-x,y z,-x,1/2-y 3/4+y,3/4+x,3/4+z 1/4-y,1/4+x,3/4-z 1/4+y,3/4-x,1/4-z 3/4-y,1/4-x,1/4+z 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 Si1 Si0 16 c 0.2083 0.2083 0.2083 1. 0 d Cu1 Cu0 12 a 0.375 0. 0.25 1. 0 d Cu2 Cu0 48 e 0.12 0.16 -0.04 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Si0 0.000 Cu0 0.000