#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/02/1010279.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_1010279 _chemical_name_systematic 'Cerium oxide - $-alpha' _chemical_formula_structural 'Ce2 O3' _chemical_formula_sum 'Ce2 O3' _publ_section_title ; Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) ; loop_ _publ_author_name 'Zachariasen, W H' _journal_name_full ; Zeitschrift fuer Physikalische Chemie (Leipzig) ; _journal_coden_ASTM ZPCLAH _journal_volume 123 _journal_year 1926 _journal_page_first 134 _journal_page_last 150 _cell_length_a 3.88 _cell_length_b 3.88 _cell_length_c 6.06 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 79.0 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'P 3 2 1' _symmetry_Int_Tables_number 150 _symmetry_cell_setting trigonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' 'y,x,-z' '-x,y-x,-z' 'x-y,-y,-z' loop_ _atom_type_symbol _atom_type_oxidation_number Ce3+ 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 Ce1 Ce3+ 2 d 0.3333 0.6667 0.25(1) 1. 0 d O1 O2- 3 e 0.25(5) 0.25(5) 0. 1. 0 d _cod_database_code 1010279