#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/54/2105410.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_2105410
loop_
_publ_author_name
'Mueller, U.'
_publ_section_title
;
 Die Kristallstruktur von Hexachloroborazol
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1997
_journal_page_last               2003
_journal_paper_doi               10.1107/S0567740871005235
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'B3 Cl6 N3'
_chemical_name_systematic        'B3 N3 Cl6'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                91.8
_cell_angle_beta                 91.8
_cell_angle_gamma                91.8
_cell_formula_units_Z            1
_cell_length_a                   6.151
_cell_length_b                   6.151
_cell_length_c                   6.151
_cell_volume                     232.370
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            boron_417.cif
_cod_data_source_block           B3Cl6N3
_cod_original_cell_volume        232.37
_cod_original_sg_symbol_Hall     '-R 3 (-y+z,x+z,-x+y+z)'
_cod_database_code               2105410
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-x,-y,-z
-z,-x,-y
-y,-z,-x
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
N1 N-1 0.0631 0.1826 -0.001 0.5 0.0
B1 B+3 0.0631 0.1826 -0.01 0.5 0.0
Cl1 Cl-1 0.141 0.4059 -0.0017 1 0.0
