#------------------------------------------------------------------------------ #$Date: 2022-01-21 20:09:38 +0200 (Fri, 21 Jan 2022) $ #$Revision: 272188 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/60/1566088.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_1566088 loop_ _publ_author_name 'Cordaro, Giulio' 'Flura, Aurelien' 'Donazzi, Alessandro' 'Pelosato, Renato' 'Mauvy, Fabrice' 'Cristiani, Cinzia' 'Dotelli, Giovanni' 'Grenier, Jean-Claude' _publ_contact_author_email giulio.cordaro@polimi.it _publ_contact_author_name 'Giulio Cordaro' _publ_section_title ; Synthesis and Characterization of Praseodymium Cuprates Compounds as Innovative and Efficient Oxygen Electrode for IT-SOFCs ; _journal_name_full 'ECS Transaction' _journal_page_first 1279 _journal_page_last 1289 _journal_volume 41 _journal_year 2019 _chemical_formula_sum 'Ba2 Cu3 O7.871 Pr' _chemical_formula_weight 732.13 _space_group_IT_number 123 _space_group_name_Hall '-P 4 2' _space_group_name_H-M_alt 'P 4/m m m' _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 123 _symmetry_space_group_name_Hall '-P 4 2' _symmetry_space_group_name_H-M 'P 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 3.906076 _cell_length_b 3.906076 _cell_length_c 11.666979 _cell_volume 178.008 _exptl_crystal_density_diffrn 6.8296 _cod_data_source_file PrBa2Cu3O8-d_5C_Tetragonal.cif _cod_data_source_block Pr123tetra5C _cod_database_code 1566088 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -y,x,z 3 -x,-y,z 4 y,-x,z 5 -x,y,z 6 -y,-x,z 7 x,-y,z 8 y,x,z 9 -x,-y,-z 10 y,-x,-z 11 x,y,-z 12 -y,x,-z 13 x,-y,-z 14 y,x,-z 15 -x,y,-z 16 -y,-x,-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_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Pr1 Pr3+ 0.50000 0.50000 0.50000 1.000 Uiso 0.006 1 Ba2 Ba2+ 0.50000 0.50000 0.18674 1.000 Uiso 0.025 2 Cu_1 Cu2+ 0.00000 0.00000 0.00000 1.000 Uiso 0.030 1 Cu_2 Cu2+ 0.00000 0.00000 0.34651 1.000 Uiso 0.0298155 2 O_1 O2- 0.00000 0.00000 0.13779 1.000 Uiso 0.014 2 O_2 O2- 0.00000 0.50000 0.34228 1.000 Uiso 0.0139822 4 O_3 O2- 0.00000 0.50000 0.00000 0.935 Uiso 0.0139822 2 loop_ _atom_type_symbol _atom_type_number_in_cell Ba2+ 2 Cu2+ 3 O2- 7.871 Pr3+ 1