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#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/18/2101852.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2101852
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_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              373
_journal_page_last               380
_journal_paper_doi               10.1107/S0108768197001468
_journal_volume                  53
_journal_year                    1997
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Ru'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   4.4968(2)
_cell_length_b                   4.4968(2)
_cell_length_c                   3.10490(10)
_cell_volume                     62.785
_database_code_amcsd             0019241
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.377
_exptl_crystal_density_diffrn    7.039
_cod_data_source_file            br0044.cif
_cod_original_formula_sum        'O2 Ru1'
_cod_database_code               2101852
_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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ru .0 .0 .0
O .30530(10) .30530(10) .0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 8488619
2 AMCSD 0019241
_cod_duplicate_entry 1000058
