#------------------------------------------------------------------------------ #$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $ #$Revision: 720 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1010583.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_1010583 _chemical_name_systematic 'Gallium oxide' _chemical_formula_structural 'Ga2 O3' _chemical_formula_sum 'Ga2 O3' _publ_section_title ; Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~ ; loop_ _publ_author_name 'Zachariasen, W H' _journal_name_full ; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse ; _journal_coden_ASTM SUNVAQ _journal_volume 1928 _journal_year 1928 _journal_page_first 1 _journal_page_last 165 _cell_length_a 5.31(2) _cell_length_b 5.31(2) _cell_length_c 5.31(2) _cell_angle_alpha 55.6(1) _cell_angle_beta 55.6(1) _cell_angle_gamma 55.6(1) _cell_volume 95.1 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'R -3 c R' _symmetry_Int_Tables_number 167 _symmetry_cell_setting trigonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'y,z,x' 'z,x,y' '-x,-y,-z' '-y,-z,-x' '-z,-x,-y' '1/2+y,1/2+x,1/2+z' '1/2+z,1/2+y,1/2+x' '1/2+x,1/2+z,1/2+y' '1/2-y,1/2-x,1/2-z' '1/2-z,1/2-y,1/2-x' '1/2-x,1/2-z,1/2-y' loop_ _atom_type_symbol _atom_type_oxidation_number Ga3+ 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 Ga1 Ga3+ 4 c 0.10(1) 0.10(1) 0.10(1) 1. 0 d O1 O2- 6 e -0.3 0.8 0.25 1. 0 d