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#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/54/2105409.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_2105409
loop_
_publ_author_name
'Groeneveld, W.L.'
'Verschoor, G.C.'
'Haasnoot, J.G.'
'Romers, C.'
_publ_section_title
;
 On the crystal and molecular structure of hexachloroborazine
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2070
_journal_page_last               2073
_journal_paper_doi               10.1107/S0567740872005540
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'B3 Cl6 N3'
_chemical_name_systematic        '(B N)3 Cl6'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.847
_cell_length_b                   8.847
_cell_length_c                   10.321
_cell_volume                     699.591
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            boron_416.cif
_cod_data_source_block           B3Cl6N3
_cod_original_cell_volume        699.5914
_cod_database_code               2105409
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
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
Cl1 Cl-1 0.4064 0.2642 -0.0051 1 0.0
N1 N-1 -0.1822 -0.1168 -0.0005 1 0.0
Cl2 Cl-1 -0.4063 -0.2667 0 1 0.0
B1 B+3 0.1843 0.1217 -0.0014 1 0.0
