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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/01/2020183.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_2020183
loop_
_publ_author_name
'Gallucci, J.C.'
'Gerkin, R.E.'
_publ_section_title
;
 Structure of barium perchlorate trihydrate
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1873
_journal_page_last               1876
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'Ba Cl2 H6 O11'
_chemical_name_systematic        'Ba (Cl O4)2 (H2 O)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.277
_cell_length_b                   7.277
_cell_length_c                   9.656
_cell_volume                     442.826
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Gallucci_ACSCEE_1988_1607.cif
_cod_data_source_block           H6Ba1Cl2O11
_cod_original_cell_volume        442.8255
_cod_original_formula_sum        'H6 Ba1 Cl2 O11'
_cod_database_code               2020183
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
H1 H+1 0.361 0.16 0.25 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
O2 O-2 0.1811 0.4592 0.0838 1 0.0
O1 O-2 0.3333 0.6667 -0.1132 1 0.0
O3 O-2 0.2562 0.1686 0.25 1 0.0
H2 H+1 0.31 0.326 0.25 1 0.0
Cl1 Cl+7 0.3333 0.6667 0.03411 1 0.0
