#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/65/9016591.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_9016591
loop_
_publ_author_name
'Ketelaar, J. A. A.'
'De Vries, T. A.'
_publ_section_title
;
 The Crystal Structure of Tetra Phosphonitrile Chloride, P₄N₄Cl₈
;
_journal_name_full
;
 Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              1081
_journal_page_last               1099
_journal_paper_doi               10.1002/recl.19390581205
_journal_volume                  58
_journal_year                    1939
_chemical_formula_sum            'Cl2 N P'
_space_group_IT_number           86
_symmetry_space_group_name_Hall  'P 4n -1n'
_symmetry_space_group_name_H-M   'P 42/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.82
_cell_length_b                   10.82
_cell_length_c                   5.95
_cell_formula_units_Z            8
_cell_volume                     696.581
_database_code_amcsd             0017618
_exptl_crystal_density_diffrn    2.210
_cod_duplicate_entry             1010890
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum        'Cl2 P N'
_cod_database_code               9016591
_amcsd_formula_title             'Cl8 N4 P4'
loop_
_space_group_symop_operation_xyz
x,y,z
y,-x,-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2+y,1/2-z
-x,-y,z
-y,x,-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cl1 0.10200 0.19900 0.11000
Cl2 0.05700 0.34400 0.56500
P1 0.04100 0.17600 0.42000
N1 0.12500 0.10500 0.61500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017618
