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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/71/1527184.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1527184
loop_
_publ_author_name
'Brackett, E.B.'
'Brackett, T.E.'
_publ_section_title
;
 The crystal structures of barium chloride, barium bromide and barium
 iodide
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2132
_journal_page_last               2135
_journal_volume                  67
_journal_year                    1963
_chemical_formula_sum            'Ba I2'
_chemical_name_systematic        'Ba I2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.922
_cell_length_b                   5.304
_cell_length_c                   10.695
_cell_volume                     506.112
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Brackett_JPCHAX_1963_1628.cif
_cod_data_source_block           Ba1I2
_cod_original_cell_volume        506.1118
_cod_original_formula_sum        'Ba1 I2'
_cod_database_code               1527184
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
I1 I-1 0.1393 0.25 0.4265 1 0.0
Ba1 Ba+2 0.2366 0.25 0.1215 1 0.0
I2 I-1 0.029 0.25 0.8387 1 0.0