#------------------------------------------------------------------------------
#$Date: 2008-04-05 09:13:02 +0100 (Sat, 05 Apr 2008) $
#$Revision: 340 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100756.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_2100756
loop_
_publ_author_name
'Kellersohn, T.'
'Lutz, H. D.'
'Vogt, T.'
'Delaplane, R. G.'
'Olovsson, I.'
_publ_section_title
;
 Structural instabilities of the trigonally coordinated water molecules
 in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and
 neutron diffraction at 25 and 295 K
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              166
_journal_page_last               172
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Ba H2 I2 O7'
_chemical_formula_weight         505.16
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2yab'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_beta                 92.130(10)
_cell_formula_units_Z            4
_cell_length_a                   9.0480(10)
_cell_length_b                   7.987(2)
_cell_length_c                   9.9110(10)
_cell_volume                     715.70(10)
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.270
_exptl_absorpt_coefficient_mu    0.0067
_exptl_crystal_density_diffrn    4.69
_exptl_crystal_F_000             195.85
_[local]_cod_data_source_file    ab0254.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba .0 .3912(2) .25
I .25920(10) .2837(2) .56180(10)
O(1) .06640(10) .3402(2) .56360(10)
O(2) .25770(10) .0930(2) .66080(10)
O(3) .26240(10) .1997(2) .39500(10)
O(4) .0 .0515 .25
H .0783(3) -.0100(4) .2179(3)