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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/07/2100759.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_2100759
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            'Cl2 H2 O7 Pb'
_chemical_formula_weight         392.11
_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                 93.130(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8110(10)
_cell_length_b                   7.7440(10)
_cell_length_c                   9.1310(10)
_cell_volume                     622.10(10)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.238
_exptl_absorpt_coefficient_mu    0.0131
_exptl_crystal_density_diffrn    4.19
_exptl_crystal_F_000             246.79
_cod_data_source_file            ab0254.cif
_cod_original_formula_sum        'Cl2 H2 O7 Pb1'
_cod_database_code               2100759
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb(b) .0 .3704(2) .25
Cl(b) .24320(10) .26910(10) .55270(10)
O(1b) .0839(2) .3342(2) .5521(2)
O(2b) .2488(2) .1047(2) .6344(2)
O(3b) .2653(2) .2271(2) .3951(2)
O(4b) .0 .0596(4) .25
H(b) .0769(4) -.0064(5) .2106(4)
