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#$Date: 2022-09-28 15:56:03 +0200 (Wed 28 de Sep de 2022) $
#$Revision: 278244 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/15/2101539.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_2101539
loop_
_publ_author_name
'Peter, S.'
'Cockcroft, J. K.'
'Roisnel, T.'
'Lutz, H. D.'
_publ_section_title
;
 Distance limits of OH···Y hydrogen bonds
 (Y = Cl, Br, I) in solid hydroxides, structure refinement of
 laurionite-type Ba(OD)I, Sr(OD)I and Sr(OH)I by neutron and
 synchrotron X-ray powder diffraction
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              423
_journal_page_last               427
_journal_paper_doi               10.1107/S0108768195013449
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'H I O Sr'
_chemical_formula_weight         231.532
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   7.72940(10)
_cell_length_b                   4.24697(7)
_cell_length_c                   10.73740(10)
_cell_volume                     352.472(8)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.85
_exptl_crystal_density_diffrn    4.362
_cod_data_source_file            se0177.cif
_cod_data_source_block           se0177a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_cell_volume        352.470(10)
_cod_database_code               2101539
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 x+1/2,-y+1/2,-z+1/2
4 -x,y+1/2,-z
5 -x,-y,-z
6 x+1/2,y,-z+1/2
7 -x+1/2,y+1/2,z+1/2
8 x,-y+1/2,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Sr .1789(4) .25 .0789(3) 0
O .365(2) .25 .4730(10) 1
I .0226(2) .75 .31930(10) 0
