#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/2/2002644.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_2002644 _chemical_name_systematic 'Europium(II) beryllium digadolinium oxide' _chemical_formula_structural 'Eu Be Gd2 O5' _chemical_formula_sum 'Be Eu Gd2 O5' _publ_section_title ; Zur Kenntnis von Eu Be Gd2 O5 mit einem Beitrag ueber Phasen der Zusammensetzung M(1-x) M'(x) Be Ln2 O5: Ca0.4 Sr0.6 Be Sm2 O5, Ba0.25 Ca0.75 Be Nd2 O5 und Ba0.36 Sr0.64 Be Nd2 O5 ; loop_ _publ_author_name 'Mueller-Buschbaum, Hk' 'Frenzen, S' _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) ; _journal_volume 49 _journal_year 1994 _journal_page_first 919 _journal_page_last 922 _cell_length_a 7.126(2) _cell_length_b 6.457(5) _cell_length_c 9.394(9) _cell_angle_alpha 90 _cell_angle_beta 90.40(3) _cell_angle_gamma 90 _cell_volume 432.2 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'P 1 21/c 1' _symmetry_Int_Tables_number 14 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,1/2+y,1/2-z' '-x,-y,-z' 'x,1/2-y,1/2+z' loop_ _atom_type_symbol _atom_type_oxidation_number Eu2+ 2.000 Gd3+ 3.000 Be2+ 2.000 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 Eu1 Eu2+ 4 e 0.0205(3) 0.0788(4) 0.8273(2) 1. 0 d Gd1 Gd3+ 4 e 0.5231(3) 0.9194(4) 0.1749(2) 1. 0 d Gd2 Gd3+ 4 e 0.2500(2) 0.5969(3) 0.9768(2) 1. 0 d Be1 Be2+ 4 e 0.2507(13) 0.1881(13) 0.0954(13) 1. 0 d O1 O2- 4 e 0.940(1) 0.809(1) 0.436(1) 1. 0 d O2 O2- 4 e 0.442(1) 0.177(1) 0.569(1) 1. 0 d O3 O2- 4 e 0.265(1) 0.663(1) 0.220(1) 1. 0 d O4 O2- 4 e 0.261(1) 0.128(1) 0.279(1) 1. 0 d O5 O2- 4 e 0.270(1) 0.524(1) 0.504(1) 1. 0 d _refine_ls_R_factor_all 0.059 _cod_database_code 2002644