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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/10/2311035.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_2311035
loop_
_publ_author_name
'Zaslow, B.'
'Atoji, M.'
'Lipscomb, W.N.'
_publ_section_title
;
 The Crystal Structure of Phosgene, C O Cl2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              833
_journal_page_last               837
_journal_volume                  5
_journal_year                    1952
_chemical_formula_sum            'C Cl2 O'
_chemical_name_systematic        'C O Cl2'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   15.82
_cell_length_b                   15.82
_cell_length_c                   5.72
_cell_volume                     1431.558
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Zaslow_ACCRA9_1952_178.cif
_cod_data_source_block           C1Cl2O1
_cod_original_formula_sum        'C1 Cl2 O1'
_cod_database_code               2311035
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+3/4,x+1/4,z+1/4
-x+1/2,-y,z+1/2
y+3/4,-x+3/4,z+3/4
-x,-y,-z
y-3/4,-x-1/4,-z-1/4
x-1/2,y,-z-1/2
-y-3/4,x-3/4,-z-3/4
x+1/2,y+1/2,z+1/2
-y+5/4,x+3/4,z+3/4
-x+1,-y+1/2,z+1
y+5/4,-x+5/4,z+5/4
-x+1/2,-y+1/2,-z+1/2
y-1/4,-x+1/4,-z+1/4
x,y+1/2,-z
-y-1/4,x-1/4,-z-1/4
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
Cl2 Cl-1 0.1038 -0.0528 -0.25 1 0.0
C1 C+4 0.1295 -0.1126 -0.004 1 0.0
Cl1 Cl-1 0.0394 -0.1417 0.15 1 0.0
O1 O-2 0.1982 -0.1306 0.039 1 0.0
