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#$Date: 2013-05-02 23:24:37 +0300 (Thu, 02 May 2013) $
#$Revision: 84895 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/14/1511460.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_1511460
loop_
_publ_author_name
'Krossing, I.'
'Santiso-Quinones, G.'
_publ_section_title
;
 Reference values for the B - X bond lengths of B I3 and B Br3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              704
_journal_page_last               707
_journal_volume                  634
_journal_year                    2008
_chemical_formula_sum            'B Br3'
_chemical_name_systematic        'B Br3'
_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                   6.4304
_cell_length_b                   6.4304
_cell_length_c                   6.8466
_cell_volume                     245.178
_citation_journal_id_ASTM        ZAACAB
_[local]_cod_data_source_file    boron0-1_88.cif
_[local]_cod_data_source_block   B1Br3
_[local]_cod_chemical_formula_sum_orig 'B1 Br3'
_cod_database_code               1511460
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
B1 B+3 0.3333 0.6667 0.25 1 0.0
Br1 Br-1 0.04715 0.36314 0.25 1 0.0