#------------------------------------------------------------------------------ #$Date: 2015-07-12 21:56:03 +0300 (Sun, 12 Jul 2015) $ #$Revision: 148277 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/69/1526990.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_1526990 loop_ _publ_author_name 'Yamada, H.' 'Soejima, Y.' 'Kawaminami, M.' 'Zheng, X.G.' _publ_section_title ; Structural study of Cu O at low temperatures ; _journal_name_full 'Transaction of the Material Research Society of Japan' _journal_page_first 1199 _journal_page_last 1202 _journal_volume 25 _journal_year 2000 _chemical_formula_sum 'Cu O' _chemical_name_systematic 'Cu O' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 99.707 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.683 _cell_length_b 3.4203 _cell_length_c 5.1245 _cell_volume 80.905 _citation_journal_id_ASTM TMRJE3 _cod_data_source_file Yamada_TMRJE3_2000_666.cif _cod_data_source_block Cu1O1 _cod_original_cell_volume 80.90532 _cod_chemical_formula_sum_orig 'Cu1 O1' _cod_database_code 1526990 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,-y+1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O1 O-2 0 0.417 0.25 1 0.0 Cu1 Cu+2 0.25 0.25 0 1 0.0