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#$Date: 2023-03-26 10:30:59 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282067 $
#$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
loop_
_publ_author_name
'Bolzan A A'
'Fong C'
'Kennedy B J'
'Howard C J'
_publ_section_title
;
 Structural studies of rutile-type metal dioxides
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              373
_journal_page_last               380
_journal_volume                  53
_journal_year                    1997
_chemical_compound_source        Synthetic
_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
_database_code_amcsd             0019241
_exptl_crystal_density_diffrn    7.039
_cod_database_code               1000058
_amcsd_formula_title             RuO2
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
-x,-y,-z
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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 8488619
2 AMCSD 0019241