#------------------------------------------------------------------------------ #$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/21/2002135.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_2002135 loop_ _publ_author_name 'Mevs, H' 'Mueller-Buschbaum, Hk' _publ_section_title ; Ein Wechsel des Strukturtyps in den Oxiden Ba Co Gd2 O5, Ba Co Dy2 O5 und Ba Co Y2 O5 ; _journal_name_full ; Zeitschrift fuer Anorganische und Allgemeine Chemie ; _journal_page_first 128 _journal_page_last 132 _journal_paper_doi 10.1002/zaac.19895730113 _journal_volume 573 _journal_year 1989 _chemical_formula_structural 'Ba Co Dy2 O5' _chemical_formula_sum 'Ba Co Dy2 O5' _chemical_name_systematic 'Barium cobalt didysprosium oxide' _space_group_IT_number 71 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 71 _symmetry_space_group_name_Hall '-I 2 2' _symmetry_space_group_name_H-M 'I m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.755(1) _cell_length_b 5.798(4) _cell_length_c 11.514(10) _cell_volume 250.7 _refine_ls_R_factor_all 0.042 _cod_database_code 2002135 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 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z 1/2-x,1/2-y,1/2+z 1/2-x,1/2-y,1/2-z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z 1/2+x,1/2+y,1/2-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Ba1 Ba2+ 2 a 0. 0. 0. 1. 0 d Dy1 Dy3+ 4 j 0.5 0. 0.7036(1) 1. 0 d Co1 Co2+ 2 c 0.5 0.5 0. 1. 0 d O1 O2- 2 d 0.5 0. 0.5 1. 0 d O2 O2- 8 l 0. 0.758(3) 0.351(1) 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Ba2+ 2.000 Dy3+ 3.000 Co2+ 2.000 O2- -2.000