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#$Date: 2025-08-19 22:00:13 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301809 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/03/2310390.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_2310390
loop_
_publ_author_name
'Giglio, E.'
'Puliti, R.'
_publ_section_title
;
 Crystal structure of trimeric phosphonitrilic bromide
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              304
_journal_page_last               307
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'Br6 N3 P3'
_chemical_name_systematic        'P3 N3 Br6'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.63
_cell_length_b                   13.36
_cell_length_c                   14.43
_cell_volume                     1278.163
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Giglio_ACCRA9_1967_1409.cif
_cod_data_source_block           Br6N3P3
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,y,-x)'
_cod_database_code               2310390
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,y+1/2,-z
-x,-y,-z
-x-1/2,y,z-1/2
x-1/2,y-1/2,-z-1/2
x,-y-1/2,z
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
Br4 Br-1 0.3818 0.0503 0.1804 1 0.0
P2 P+5 0.553 0.1465 0.0916 1 0.0
Br3 Br-1 0.848 0.0716 0.083 1 0.0
Br2 Br-1 0.1015 0.25 -0.1089 1 0.0
N1 N-3 0.591 0.25 0.136 1 0.0
P1 P+5 0.41 0.25 -0.0595 1 0.0
N2 N-3 0.429 0.147 -0.003 1 0.0
Br1 Br-1 0.5807 0.25 -0.19 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 123319
