#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2002555.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_2002555 _chemical_name_systematic ; Barium platinum dysprosium oxide (8/4/3/17.5) ; _chemical_formula_structural 'Ba8 Pt4 Dy3 O17.5' _chemical_formula_sum 'Ba8 Dy3 O17.5 Pt4' _publ_section_title ; Zur Kenntnis von Ba8 Pt4 Ho3 O17.5 und Ba8 Pt4 Dy3 O17.5 ; loop_ _publ_author_name 'Schlueter, D' 'Mueller-Buschbaum, Hk' _journal_name_full 'Journal of Alloys Compd.' _journal_volume 189 _journal_year 1992 _journal_page_first L21 _journal_page_last L22 _cell_length_a 8.3826(6) _cell_length_b 8.3826(6) _cell_length_c 8.3826(6) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 589.0 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'P m -3 m' _symmetry_Int_Tables_number 221 _symmetry_cell_setting cubic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'y,z,x' 'z,x,y' 'x,z,y' 'y,x,z' 'z,y,x' 'x,-y,-z' 'y,-z,-x' 'z,-x,-y' 'x,-z,-y' 'y,-x,-z' 'z,-y,-x' '-x,y,-z' '-y,z,-x' '-z,x,-y' '-x,z,-y' '-y,x,-z' '-z,y,-x' '-x,-y,z' '-y,-z,x' '-z,-x,y' '-x,-z,y' '-y,-x,z' '-z,-y,x' '-x,-y,-z' '-y,-z,-x' '-z,-x,-y' '-x,-z,-y' '-y,-x,-z' '-z,-y,-x' '-x,y,z' '-y,z,x' '-z,x,y' '-x,z,y' '-y,x,z' '-z,y,x' 'x,-y,z' 'y,-z,x' 'z,-x,y' 'x,-z,y' 'y,-x,z' 'z,-y,x' 'x,y,-z' 'y,z,-x' 'z,x,-y' 'x,z,-y' 'y,x,-z' 'z,y,-x' loop_ _atom_type_symbol _atom_type_oxidation_number Ba2+ 2.000 Pt2+ 2.000 Pt4+ 4.000 Dy3+ 3.000 O2- -2.000 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+ 8 g 0.2404(1) 0.2404(1) 0.2404(1) 1. 0 d Pt1 Pt2+ 3 c 0.5 0.5 0. 1. 0 d Pt2 Pt4+ 1 a 0. 0. 0. 1. 0 d Dy1 Dy3+ 3 d 0.5 0. 0. 1. 0 d O1 O2- 12 h 0. 0.5 0.266(3) 0.972 0 d O2 O2- 6 e 0.239(4) 0. 0. 0.972 0 d _refine_ls_R_factor_all 0.072 _cod_database_code 2002555