#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2002877.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_2002877 _chemical_name_systematic 'Europium beryllium disamarium oxide' _chemical_formula_structural 'Eu Be Sm2 O5' _chemical_formula_sum 'Be Eu O5 Sm2' _publ_section_title ; Synthese und Kristallstrukturuntersuchung von Ca Be Eu2 O5, Sr Be Gd2 O5 und Eu Be Sm2 O5 ; loop_ _publ_author_name 'Mueller-Buschbaum, Hk' 'Wolters, M' _journal_name_full 'Journal of Alloys Compd.' _journal_volume 210 _journal_year 1994 _journal_page_first L1 _journal_page_last L3 _cell_length_a 7.1506(32) _cell_length_b 6.4821(25) _cell_length_c 9.4394(18) _cell_angle_alpha 90 _cell_angle_beta 90.235(41) _cell_angle_gamma 90 _cell_volume 437.5 _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 Sm3+ 3.000 Eu2+ 2.000 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 Sm1 Sm3+ 4 e 0.2501(1) 0.5961(2) 0.9760(1) 1. 0 d Sm2 Sm3+ 4 e 0.5226(1) 0.9193(2) 0.1742(1) 1. 0 d Eu2 Eu2+ 4 e 0.0212(1) 0.0807(2) 0.8270(1) 1. 0 d Be1 Be2+ 4 e 0.2518(9) 0.1944(9) 0.1029(9) 1. 0 d O1 O2- 4 e 0.943(1) 0.810(1) 0.437(1) 1. 0 d O2 O2- 4 e 0.441(1) 0.181(1) 0.568(1) 1. 0 d O3 O2- 4 e 0.259(1) 0.668(1) 0.220(1) 1. 0 d O4 O2- 4 e 0.257(1) 0.131(1) 0.275(1) 1. 0 d O5 O2- 4 e 0.255(1) 0.521(1) 0.506(1) 1. 0 d _refine_ls_R_factor_all 0.04