#------------------------------------------------------------------------------ #$Date: 2018-06-09 19:39:53 +0300 (Sat, 09 Jun 2018) $ #$Revision: 208239 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/47/1534756.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_1534756 loop_ _publ_author_name 'Schwer, H.' 'Kaldis, E.' 'Karpinski, J.' 'Rossel, C.' _publ_section_title ; Effect of structural changes on the transition temperatures in Y2Ba4Cu7O14+x single crystals ; _journal_name_full 'Physica C (Amsterdam)' _journal_page_first 165 _journal_page_last 178 _journal_volume 211 _journal_year 1993 _chemical_formula_sum 'Ba2 Cu4 O8 Y' _chemical_name_systematic 'Y Ba2 Cu4 O8' _space_group_crystal_system orthorhombic _space_group_IT_number 65 _space_group_name_Hall '-A 2 2' _space_group_name_H-M_alt 'A m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.8386 _cell_length_b 3.8689 _cell_length_c 27.201 _cell_volume 403.966 _citation_journal_id_ASTM PHYCE6 _cod_data_source_file Schwer_PHYCE6_1993_1604.cif _cod_data_source_block Ba2Cu4O8Y1 _cod_depositor_comments ; Updating space group information. Antanas Vaitkus, 2018-06-10 ; _cod_original_cell_volume 403.9664 _cod_original_sg_symbol_Hall '-C 2 2 (z,x,y)' _cod_original_formula_sum 'Ba2 Cu4 O8 Y1' _cod_database_code 1534756 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x,-y,-z 3 -x,y,-z 4 -x,-y,z 5 -x,-y,-z 6 -x,y,z 7 x,-y,z 8 x,y,-z 9 x,y+1/2,z+1/2 10 x,-y+1/2,-z+1/2 11 -x,y+1/2,-z+1/2 12 -x,-y+1/2,z+1/2 13 -x,-y+1/2,-z+1/2 14 -x,y+1/2,z+1/2 15 x,-y+1/2,z+1/2 16 x,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 0.14528 1 0.0 O4 O-2 0 0.5 0.21819 1 0.0 Y1 Y+3 0.5 0.5 0 1 0.0 Cu2 Cu+2 0 0 0.06155 1 0.0 O2 O-2 0.5 0 0.05248 1 0.0 Ba1 Ba+2 0.5 0.5 0.13485 1 0.0 O3 O-2 0 0.5 0.05227 1 0.0 Cu1 Cu+2 0 0 0.21299 1 0.0