#------------------------------------------------------------------------------ #$Date: 2015-10-14 17:55:25 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168732 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/97/1539727.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_1539727 loop_ _publ_author_name 'Bertinotti, A.' 'Hammann, J.' 'Luzet, D.' 'Vincent, E.' _publ_section_title ; Structure of a new type of satellite phase in Y Ba2 Cu3 O7-delta ; _journal_name_full 'Physica C (Amsterdam)' _journal_page_first 227 _journal_page_last 234 _journal_volume 160 _journal_year 1989 _chemical_formula_sum 'Ba Cu3 O4' _chemical_name_systematic 'Ba Cu3 O4' _space_group_IT_number 65 _symmetry_space_group_name_Hall '-C 2 2' _symmetry_space_group_name_H-M 'C m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 10.98 _cell_length_b 5.5 _cell_length_c 3.92 _cell_volume 236.729 _citation_journal_id_ASTM PHYCE6 _cod_data_source_file Bertinotti_PHYCE6_1989_1096.cif _cod_data_source_block Ba1Cu3O4 _cod_original_cell_volume 236.7288 _cod_chemical_formula_sum_orig 'Ba1 Cu3 O4' _cod_database_code 1539727 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x,-y,-z -x,y,-z -x,-y,-z x,y,-z -x,y,z x,-y,z x+1/2,y+1/2,z -x+1/2,-y+1/2,z x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z -x+1/2,y+1/2,z x+1/2,-y+1/2,z 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 Cu2 Cu+2 0.2521 0 0 1 0.0 Ba1 Ba+2 0.5 0 0 1 0.0 O1 O-2 0.1264 0.2457 0 1 0.0 Cu1 Cu+2 0 0 0 1 0.0