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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/60/9016045.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9016045
loop_
_publ_author_name
'de Santis, P.'
'Giglio, E.'
'Ripamonti, A.'
_publ_section_title
;
 The crystal structure of trimeric phosphonitrilic bromide.
 _cod_database_code 1008090
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              469
_journal_page_last               474
_journal_paper_doi               10.1016/0022-1902(62)80232-2
_journal_volume                  24
_journal_year                    1962
_chemical_formula_sum            'Br2 N P'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.63
_cell_length_b                   13.36
_cell_length_c                   14.43
_cell_formula_units_Z            12
_cell_volume                     1278.163
_database_code_amcsd             0016032
_exptl_crystal_density_diffrn    3.193
_cod_duplicate_entry             1008090
_cod_original_formula_sum        'N P Br2'
_cod_database_code               9016045
_amcsd_formula_title             'Br6 N3 P3'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 0.58000 0.25000 0.13700
N2 0.45300 0.15200 -0.00500
P1 0.41300 0.25000 -0.05800
P2 0.55700 0.15000 0.09000
Br1 0.57400 0.25000 -0.19000
Br2 0.11100 0.25000 -0.09800
Br3 0.85100 0.07100 0.08200
Br4 0.38000 0.05000 0.18000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016032
