#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000582.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_2000582
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_volume                  48
_journal_year                    1992
_chemical_formula_sum            'H I O3'
_[local]_cod_chemical_formula_sum_orig 'H1 I1 O3'
_chemical_formula_weight         175.91
_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                   5.5448(3)
_cell_length_b                   5.8829(3)
_cell_length_c                   7.7434(4)
_cell_volume                     252.59(4)
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.4700(10)
_exptl_absorpt_coefficient_mu    0.072
_exptl_crystal_density_diffrn    4.64
_[local]_cod_data_source_file    ab0266.cif
_[local]_cod_data_source_block   ab0266a
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
I .2028(8) -.0858(7) .1576(5)
O(1) -.0674(7) .0237(6) .2552(6)
O(2) .3338(7) .1960(8) .0839(6)
O(3) .0963(8) -.1591(6) -.0527(5)
H .2419(12) .3198(14) .1335(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
I O(1) 1.797(6)
I O(2) 1.898(6)
I O(3) 1.786(6)
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) 97.6(2)
O(1) I O(3) 101.2(3)
O(2) I O(3) 93.6(3)
_cod_database_code 2000582