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#$Date: 2025-08-19 11:01:59 +0100 (Tue, 19 Aug 2025) $
#$Revision: 301802 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/07/2100760.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_2100760
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_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                 93.450(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7550(10)
_cell_length_b                   7.6970(10)
_cell_length_c                   9.1300(10)
_cell_volume                     614.13(13)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.215
_exptl_absorpt_coefficient_mu    0.0133
_exptl_crystal_density_diffrn    4.24
_exptl_crystal_F_000             246.79
_cod_data_source_file            ab0254.cif
_cod_data_source_block           ab0254e
_cod_original_cell_volume        614.10(10)
_cod_original_formula_sum        'Cl2 H2 O7 Pb1'
_cod_database_code               2100760
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb .0 .37176(9) .25
Cl .24396(6) .27149(6) .55319(6)
O(1) .08309(9) .33637(11) .55305(10)
O(2) .24496(9) .10460(11) .63549(9)
O(3) .26575(9) .22869(11) .39444(10)
O(4) .0 .05897(16) .25
H .0785(2) -.0105(2) .2097(2)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168308351