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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/53/1535366.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_1535366
loop_
_publ_author_name
'Boese, R.'
'Maulitz, A.H.'
'Stellberg, P.'
_publ_section_title
;
 Solid-state borazine: does it deserve to be entitled "inorganic benzene"?
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              1887
_journal_page_last               1889
_journal_volume                  127
_journal_year                    1994
_chemical_formula_sum            'B3 H6 N3'
_chemical_name_systematic        'B3 N3 H6'
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4626
_cell_length_b                   5.4626
_cell_length_c                   16.3149
_cell_volume                     486.837
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            Boese_CHBEAM_1994_1692.cif
_cod_data_source_block           H6B3N3
_cod_original_cell_volume        486.8366
_cod_original_formula_sum        'H6 B3 N3'
_cod_database_code               1535366
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+3/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+1/4
x+1/2,-y+1/2,-z+1/4
y,x,-z
-x+1/2,y+1/2,-z+3/4
-y,-x,-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
H3 H 0.0422 0.3783 0.0955 1 0.0
B1 B 0.34705 0.55833 0.05829 1 0.0
H4 H 0.0221 0.0221 0 1 0.0
N1 N 0.54112 0.54112 0 1 0.0
B2 B 0.17085 0.17085 0 1 0.0
H1 H 0.6559 0.6559 0 1 0.0
N2 N 0.16599 0.36905 0.05718 1 0.0
H2 H 0.3363 0.7153 0.1009 1 0.0
