#------------------------------------------------------------------------------
#$Date: 2023-11-11 18:11:52 +0100 (Sat 11 de Nov de 2023) $
#$Revision: 287549 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/18/2101854.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_2101854
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_formula_sum            'Ir O2'
_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                   4.5051(3)
_cell_length_b                   4.5051(3)
_cell_length_c                   3.1586(2)
_cell_volume                     64.107(7)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.372
_cod_data_source_file            br0044.cif
_cod_data_source_block           br0044d
_cod_original_formula_sum        'Ir1 O2'
_cod_database_code               2101854
_database_code_amcsd             0019243
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ir 0.01100 0.01100 0.00640 0.00040 0.00000 0.00000
O 0.01210 0.00000 0.00700 0.00290 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ir .0 .0 .0
O .3077(3) .3077(3) .0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 10605808
2 AMCSD 0019243
