#------------------------------------------------------------------------------
#$Date: 2025-08-18 23:52:38 +0100 (Mon, 18 Aug 2025) $
#$Revision: 301791 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/05/2000583.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_2000583
loop_
_publ_author_name
'St\%ahl, K.'
'Szafranski, M.'
_publ_section_title
;
 A neutron powder diffraction study of HIO~3~ and DIO~3~
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1571
_journal_page_last               1574
_journal_paper_doi               10.1107/S0108270192001094
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'D I O3'
_chemical_formula_weight         176.91
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5408(4)
_cell_length_b                   5.8745(4)
_cell_length_c                   7.7356(5)
_cell_volume                     251.79(3)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.4700(10)
_exptl_absorpt_coefficient_mu    0.006
_exptl_crystal_density_diffrn    4.67
_cod_data_source_file            ab0266.cif
_cod_data_source_block           ab0266b
_cod_original_cell_volume        251.79(5)
_cod_original_formula_sum        'D1 I1 O3'
_cod_database_code               2000583
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
I .2042(10) -.0902(9) .1574(7)
O(1) -.0686(9) .0234(7) .2565(9)
O(2) .3385(8) .1927(9) .0834(6)
O(3) .0997(9) -.1599(8) -.0534(6)
D .2361(10) .3175(8) .1349(7)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O(1) I O(2) 97.5(3)
O(1) I O(3) 101.6(4)
O(2) I O(3) 93.0(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
I O(1) 1.821(7)
I O(2) 1.909(7)
I O(3) 1.778(7)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139053413