#------------------------------------------------------------------------------ #$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201954 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/03/1010332.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_1010332 loop_ _publ_author_name 'Zachariasen, W' _publ_section_title ; The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium. ; _journal_coden_ASTM NOGTAO _journal_name_full 'Norsk Geologisk Tidsskrift' _journal_page_first 310 _journal_page_last 316 _journal_volume 9 _journal_year 1927 _chemical_formula_structural 'Yb2 O3' _chemical_formula_sum 'O3 Yb2' _chemical_name_systematic 'Ytterbium oxide' _space_group_IT_number 199 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 199 _symmetry_space_group_name_Hall 'I 2b 2c 3' _symmetry_space_group_name_H-M 'I 21 3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 16 _cell_length_a 10.39 _cell_length_b 10.39 _cell_length_c 10.39 _cell_volume 1121.6 _cod_database_code 1010332 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,z,x z,x,y 1/2+x,1/2-y,-z 1/2+y,1/2-z,-x 1/2+z,1/2-x,-y -x,1/2+y,1/2-z -y,1/2+z,1/2-x -z,1/2+x,1/2-y 1/2-x,-y,1/2+z 1/2-y,-z,1/2+x 1/2-z,-x,1/2+y 1/2+x,1/2+y,1/2+z 1/2+y,1/2+z,1/2+x 1/2+z,1/2+x,1/2+y x,-y,1/2-z y,-z,1/2-x z,-x,1/2-y 1/2-x,y,-z 1/2-y,z,-x 1/2-z,x,-y -x,1/2-y,z -y,1/2-z,x -z,1/2-x,y 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 Yb1 Yb3+ 8 a 0.25 0.25 0.25 1. 0 d Yb2 Yb3+ 12 b 0.021 0. 0.25 1. 0 d Yb3 Yb3+ 12 b 0.542 0. 0.25 1. 0 d O1 O2- 24 c 0.125 0.135 0.395 1. 0 d O2 O2- 24 c 0.1 0.358 0.373 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Yb3+ 3.000 O2- -2.000 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 ChemSpider 140160