#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1010975.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_1010975 _chemical_name_systematic 'Copper(I) arsenide' _chemical_name_mineral 'Domeykite low' _chemical_compound_source 'from Mina San Antonio, Copiapa, Chile' _chemical_formula_structural 'Cu3 As' _chemical_formula_sum 'As Cu3' _publ_section_title 'The Crystal Structure of Cu3 As and Cu3 P' loop_ _publ_author_name 'Steenberg, B' _journal_name_full 'Arkiv foer Kemi, Mineralogi och Geologi, A' _journal_coden_ASTM ARKGAJ _journal_volume 12 _journal_year 1938 _journal_page_first 1 _journal_page_last 15 _journal_issue 2 _cell_length_a 9.611 _cell_length_b 9.611 _cell_length_c 9.611 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 887.8 _cell_formula_units_Z 16 _exptl_crystal_density_meas 8.01(9) _symmetry_space_group_name_H-M 'I -4 3 d' _symmetry_Int_Tables_number 220 _symmetry_cell_setting cubic 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_type_symbol _atom_type_oxidation_number As3- -3.000 Cu1+ 1.000 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 As1 As3- 16 c -0.03 -0.03 -0.03 1. 0 d Cu1 Cu1+ 48 e -0.03 0.12 0.2 1. 0 d _cod_database_code 1010975