#------------------------------------------------------------------------------
#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/54/9015458.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_9015458
loop_
_publ_author_name
'Powell, H.'
'Clark, D.'
'Wells, A.'
_publ_section_title
;
 Crystal Structure of Phosphorus Pentachloride
 _cod_database_code 1010411
;
_journal_name_full               Nature
_journal_page_first              149
_journal_page_last               149
_journal_volume                  145
_journal_year                    1940
_chemical_formula_sum            P
_space_group_IT_number           85
_symmetry_space_group_name_Hall  'P 4ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.2
_cell_length_b                   9.2
_cell_length_c                   7.4
_cell_volume                     626.336
_database_code_amcsd             0017336
_exptl_crystal_density_diffrn    0.328
_[local]_cod_cif_authors_sg_H-M  'P 4/n'
_cod_database_code               9015458
_amcsd_formula_title             'Cl5 P'
loop_
_space_group_symop_operation_xyz
x,y,z
y,-x,-z
1/2-y,1/2+x,z
1/2+x,1/2+y,-z
-x,-y,z
-y,x,-z
1/2+y,1/2-x,z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
P1 0.00000 0.00000 0.00000
P2 0.00000 0.50000 0.62500