#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/00/1000063.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_1000063 loop_ _publ_author_name 'Neuburger, M C' _publ_section_title ; Praezisionsmessung der Gitterkonstante von Cuprooxyd Cu2 O ; _journal_coden_ASTM ZEPYAA _journal_name_full 'Zeitschrift fuer Physik' _journal_page_first 845 _journal_page_last 850 _journal_volume 67 _journal_year 1930 _chemical_compound_source synthetic _chemical_formula_structural 'Cu2 O' _chemical_formula_sum 'Cu2 O' _chemical_name_mineral Cuprite _chemical_name_systematic 'Copper(I) oxide' _space_group_IT_number 224 _symmetry_cell_setting cubic _symmetry_space_group_name_Hall 'P 4n 2 3 -1n' _symmetry_space_group_name_H-M 'P n -3 m :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.252(2) _cell_length_b 4.252(2) _cell_length_c 4.252(2) _cell_volume 76.9 _exptl_crystal_density_meas 5.92(17) _[local]_cod_cif_authors_sg_H-M 'P n -3 m S' _cod_database_code 1000063 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_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 loop_ _atom_type_symbol _atom_type_oxidation_number O2- -2.000 Cu1+ 1.000