#------------------------------------------------------------------------------ #$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $ #$Revision: 720 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1000063.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_Cuprite _chemical_name_systematic 'Copper(I) oxide' _chemical_name_mineral 'Cuprite' _chemical_compound_source 'synthetic' _chemical_formula_structural 'Cu2 O' _chemical_formula_sum 'Cu2 O' _publ_section_title ; Praezisionsmessung der Gitterkonstante von Cuprooxyd Cu2 O ; loop_ _publ_author_name 'Neuburger, M C' _journal_name_full 'Zeitschrift fuer Physik' _journal_coden_ASTM ZEPYAA _journal_volume 67 _journal_year 1930 _journal_page_first 845 _journal_page_last 850 _cell_length_a 4.252(2) _cell_length_b 4.252(2) _cell_length_c 4.252(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 76.9 _cell_formula_units_Z 2 _exptl_crystal_density_meas 5.92(17) _symmetry_space_group_name_H-M 'P n -3 m S' _symmetry_Int_Tables_number 224 _symmetry_cell_setting cubic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,z,y' 'y,z,x' 'z,y,x' 'z,x,y' 'y,x,z' 'x,-y,-z' 'x,-z,-y' 'y,-z,-x' 'z,-y,-x' 'z,-x,-y' 'y,-x,-z' '-x,y,-z' '-x,z,-y' '-y,z,-x' '-z,y,-x' '-z,x,-y' '-y,x,-z' '-x,-y,z' '-x,-z,y' '-y,-z,x' '-z,-y,x' '-z,-x,y' '-y,-x,z' '1/2-x,1/2-y,1/2-z' '1/2-x,1/2-z,1/2-y' '1/2-y,1/2-z,1/2-x' '1/2-z,1/2-y,1/2-x' '1/2-z,1/2-x,1/2-y' '1/2-y,1/2-x,1/2-z' '1/2-x,1/2+y,1/2+z' '1/2-x,1/2+z,1/2+y' '1/2-y,1/2+z,1/2+x' '1/2-z,1/2+y,1/2+x' '1/2-z,1/2+x,1/2+y' '1/2-y,1/2+x,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2+x,1/2-z,1/2+y' '1/2+y,1/2-z,1/2+x' '1/2+z,1/2-y,1/2+x' '1/2+z,1/2-x,1/2+y' '1/2+y,1/2-x,1/2+z' '1/2+x,1/2+y,1/2-z' '1/2+x,1/2+z,1/2-y' '1/2+y,1/2+z,1/2-x' '1/2+z,1/2+y,1/2-x' '1/2+z,1/2+x,1/2-y' '1/2+y,1/2+x,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number O2- -2.000 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 O1 O2- 2 a 0. 0. 0. 1. 0 d Cu1 Cu1+ 4 b 0.25 0.25 0.25 1. 0 d