#------------------------------------------------------------------------------ #$Date: 2009-11-14 15:09:05 +0200 (Sat, 14 Nov 2009) $ #$Revision: 846 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1100059.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. # # Crystal Data data_global _journal_name_full 'Acta Crystallogr., Sect. B' _journal_volume 30 _chemical_formula_sum 'Cu5 Zn8' _chemical_name_structure_type 'Cu5Zn8' # Publication Data loop_ _publ_author_name 'J.K.Brandon' 'R.Y.Brizard' 'P.C.Chieh' 'R.K.McMillan' 'W.B.Pearson' _journal_year 1974 _journal_page_first 1412 _journal_page_last 1417 # Unit Cell Data _cell_length_a 8.878 _cell_length_b 8.878 _cell_length_c 8.878 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 699.75 _cell_formula_units_Z 4 # Space Group _symmetry_space_group_name_H-M 'I -4 3 m' _symmetry_Int_Tables_number 217 _symmetry_cell_setting cubic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,z' '-x,y,-z' 'x,-y,-z' 'z,x,y' 'z,-x,-y' '-z,-x,y' '-z,x,-y' 'y,z,x' '-y,z,-x' 'y,-z,-x' '-y,-z,x' 'y,x,z' '-y,-x,z' 'y,-x,-z' '-y,x,-z' 'x,z,y' '-x,z,-y' '-x,-z,y' 'x,-z,-y' 'z,y,x' 'z,-y,-x' '-z,y,-x' '-z,-y,x' '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' 'x+1/2,-y+1/2,-z+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,x+1/2,-y+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,-x+1/2' '-y+1/2,-z+1/2,x+1/2' 'y+1/2,x+1/2,z+1/2' '-y+1/2,-x+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,z+1/2,y+1/2' '-x+1/2,z+1/2,-y+1/2' '-x+1/2,-z+1/2,y+1/2' 'x+1/2,-z+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,y+1/2,-x+1/2' '-z+1/2,-y+1/2,x+1/2' # Atomic Coordinates loop_ _atom_site_label _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_type_symbol Zn1 8 c 0.1089 0.1089 0.1089 1.0000 Zn Cu1 8 c -0.1720 -0.1720 -0.1720 1.0000 Cu Cu2 12 e 0.3558 0.0000 0.0000 1.0000 Cu Zn2 24 g 0.3128 0.3128 0.0366 1.0000 Zn