#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/36/1533635.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_1533635 loop_ _publ_author_name 'Song Gongbao' 'Liang Jingkui' 'Yang Lintao' 'Liu, F.S.' 'Rao Guanghui' _publ_section_title ; Subsolidus phase relations of the constant copper oxide content (50mol%) section in the (Pr O11/6) - (Ba O) - (Ca O) - (Cu O) system at 950 C ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 316 _journal_page_last 321 _journal_volume 360 _journal_year 2003 _chemical_formula_sum 'Ba1.8 Ca0.2 Cu3 O7.1 Pr' _chemical_name_systematic '(Pr0.8 Ca0.2) (Ba1.8 Pr0.2) Cu3 O7.1' _space_group_IT_number 47 _symmetry_space_group_name_Hall '-P 2 2' _symmetry_space_group_name_H-M 'P m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 3.8936 _cell_length_b 3.8773 _cell_length_c 11.682 _cell_volume 176.359 _citation_journal_id_ASTM JALCEU _cod_data_source_file SongGongbao_JALCEU_2003_83.cif _cod_data_source_block Ba1.8Ca0.2Cu3O7.1Pr1 _cod_original_cell_volume 176.3591 _cod_original_formula_sum 'Ba1.8 Ca0.2 Cu3 O7.1 Pr1' _cod_database_code 1533635 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 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 0 0.3523 1 0.0 O5 O-2 0.5 0 0.37 1 0.0 O3 O-2 0 0 0.1562 1 0.0 O4 O-2 0 0.5 0.3705 1 0.0 Pr2 Pr+3 0.5 0.5 0.1838 0.1 0.0 O2 O-2 0.5 0 0 1 0.0 O1 O-2 0 0.5 0 0.1 0.0 Ca1 Ca+2 0.5 0.5 0.5 0.2 0.0 Pr1 Pr+3 0.5 0.5 0.5 0.8 0.0 Ba1 Ba+2 0.5 0.5 0.1838 0.9 0.0 Cu1 Cu+2 0 0 0 1 0.0