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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/14/1511461.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_1511461
loop_
_publ_author_name
'Riva, A.'
'Rollier, M.A.'
_publ_section_title
;
 Determinazione roentgenografica della struttura cristallina del cloruro e
 del bromuro di boro allo stato solido
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              361
_journal_page_last               366
_journal_volume                  77
_journal_year                    1947
_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                   6.406
_cell_length_b                   6.406
_cell_length_c                   6.864
_cell_volume                     243.939
_citation_journal_id_ASTM        GCITA9
_cod_data_source_file            boron0-1_89.cif
_cod_data_source_block           B1Br3
_cod_original_cell_volume        243.9393
_cod_original_formula_sum        'B1 Br3'
_cod_database_code               1511461
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
Br1 Br-1 0.3333 0 0.25 1 0.0
B1 B+3 0.3333 0.6667 0.25 1 0.0