#------------------------------------------------------------------------------
#$Date: 2015-10-15 01:17:26 +0300 (Thu, 15 Oct 2015) $
#$Revision: 169132 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/72/2107246.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_2107246
loop_
_publ_author_name
'Zoer, H.'
'Wagner, A.J.'
_publ_section_title
;
 The crystal structure of compounds with (N-P)n rings. IX.
 Octabromocyclotetraphosphazene, N4 P4 Br8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              252
_journal_page_last               257
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Br8 N4 P4'
_chemical_name_systematic        'N4 P4 Br8'
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.187
_cell_length_b                   11.187
_cell_length_c                   6.189
_cell_volume                     774.547
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Zoer_ACBCAR_1972_1689.cif
_cod_data_source_block           Br8N4P4
_cod_database_code               2107246
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/2,z+1/2
-x+1/2,-y+1/2,z
y+1/2,-x,z+1/2
-x,-y,-z
y,-x-1/2,-z-1/2
x-1/2,y-1/2,-z
-y-1/2,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
N1 N-3 0.117 0.1597 0.1701 1 0.0
Br2 Br-1 0.193 -0.0966 0.1657 1 0.0
Br1 Br-1 0.1413 0.0551 0.6359 1 0.0
P1 P+5 0.2049 0.0807 0.3086 1 0.0
