#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/47/4124707.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4124707
loop_
_publ_author_name
'Zelezny, W.F.'
'Baenziger, N.C.'
_publ_section_title
;
 The Crystal Structure of Tetrachlorophosphonium Dichloroiodide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6151
_journal_page_last               6152
_journal_volume                  74
_journal_year                    1952
_chemical_formula_sum            'Cl6 I P'
_chemical_name_systematic        '(P Cl4) (I Cl2)'
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.26
_cell_length_b                   9.26
_cell_length_c                   5.68
_cell_volume                     487.046
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Zelezny_JACSAT_1952_1441.cif
_cod_data_source_block           Cl6I1P1
_cod_original_cell_volume        487.0464
_cod_original_formula_sum        'Cl6 I1 P1'
_cod_database_code               4124707
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z
-y+1/2,-x+1/2,z
-x+1/2,y+1/2,-z
y+1/2,x+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
Cl1 Cl-1 0.18 0.68 0.161 1 0.0
I1 I+1 0 0.5 0.161 1 0.0
P1 P+5 0 0 0.5 1 0.0
Cl2 Cl-1 0.345 0.579 -0.298 1 0.0
