#------------------------------------------------------------------------------
#$Date: 2016-02-20 01:53:41 +0100 (Sat 20 de Feb de 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/07/2100757.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_2100757
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(IO₃)₂.H₂O and Pb(ClO₃)₂.H₂O 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_paper_doi               10.1107/S0108768191013538
_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_alpha                90
_cell_angle_beta                 92.18(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.022(5)
_cell_length_b                   7.937(4)
_cell_length_c                   9.867(6)
_cell_volume                     706.0(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    14.35
_exptl_crystal_density_diffrn    4.75
_exptl_crystal_F_000             880
_cod_data_source_file            ab0254.cif
_cod_data_source_block           ab0254b
_cod_original_cell_volume        706.0(5)
_cod_database_code               2100757
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba .0 .39033(2) .25
I .25915(2) .28551(2) .562400(10)
O(1) .0650(2) .3413(2) .5634(2)
O(2) .2573(2) .0927(3) .6626(2)
O(3) .2617(2) .1997(3) .3944(2)
O(4) .0019(14) .0506(5) .2688(6)
H .081(4) -.002(6) .205(4)
