#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/00/1000058.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_1000058 _chemical_formula_structural 'Ru O2' _chemical_formula_sum 'O2 Ru' _chemical_name_systematic 'Ruthenium(IV) oxide' _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 136 _symmetry_space_group_name_H-M 'P 42/m n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.4968(2) _cell_length_b 4.4968(2) _cell_length_c 3.1049(1) _cell_volume 62.8 _cod_database_code 1000058 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_22 _atom_site_aniso_U_23 _atom_site_aniso_U_33 Ru1 0.0039(2) -0.0007(2) 0. 0.0039(2) 0. 0.0044(5) O1 0.0063(3) -0.0021(2) 0. 0.0063(3) 0. 0.0070(4) 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 Ru1 Ru4+ 2 a 0. 0. 0. 1. 0 d O1 O2- 4 f 0.3053(1) 0.3053(1) 0. 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Ru4+ 4.000 O2- -2.000