#------------------------------------------------------------------------------ #$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/27/2002715.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_2002715 loop_ _publ_author_name 'Mueller-Buschbaum, Hk' 'Werner, J - P' _publ_section_title 'Zur Kenntnis von Eu2 Ti O5' _journal_name_full 'Journal of Alloys Compd.' _journal_page_first L11 _journal_page_last L13 _journal_paper_doi 10.1016/0925-8388(94)90024-8 _journal_volume 206 _journal_year 1994 _chemical_formula_structural 'Eu2 Ti O5' _chemical_formula_sum 'Eu2 O5 Ti' _chemical_name_systematic 'Dieuropium titanium oxide' _space_group_IT_number 62 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 62 _symmetry_space_group_name_Hall '-P 2c 2n' _symmetry_space_group_name_H-M 'P n a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.5358(11) _cell_length_b 11.3002(17) _cell_length_c 3.7771(5) _cell_volume 449.7 _refine_ls_R_factor_all 0.059 _cod_database_code 2002715 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2-y,1/2-z -x,-y,1/2+z 1/2-x,1/2+y,-z -x,-y,-z 1/2-x,1/2+y,1/2+z x,y,1/2-z 1/2+x,1/2-y,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 Eu1 Eu3+ 4 c 0.1366(1) 0.0582(1) 0.25 1. 0 d Eu2 Eu3+ 4 c 0.3908(1) 0.2209(1) 0.75 1. 0 d Ti1 Ti4+ 4 c 0.1815(4) 0.3775(3) 0.25 1. 0 d O1 O2- 4 c 0.0060(8) 0.1065(8) 0.75 1. 0 d O2 O2- 4 c 0.2755(8) 0.0406(7) 0.75 1. 0 d O3 O2- 4 c 0.2330(8) 0.3820(8) 0.75 1. 0 d O4 O2- 4 c 0.2631(8) 0.2326(7) 0.25 1. 0 d O5 O2- 4 c 0.0172(8) 0.3397(8) 0.25 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Eu3+ 3.000 Ti4+ 4.000 O2- -2.000