#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/22/1542245.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_1542245
loop_
_publ_author_name
'Sillen, L.G.'
'Pettersson, R.'
_publ_section_title
;
 Die Kristallstruktur von Pb2 Cl2 C O3 (Phosgenit) und Pb2 Br2 C O3
;
_journal_name_full               Naturwissenschaften
_journal_page_first              41
_journal_page_last               41
_journal_volume                  32
_journal_year                    1944
_chemical_formula_sum            'C Br2 O3 Pb2'
_chemical_name_systematic        'Pb2 Br2 (C O3)'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.337
_cell_length_b                   8.337
_cell_length_c                   9.056
_cell_volume                     629.442
_citation_journal_id_ASTM        NATWAY
_cod_data_source_file            Sillen_NATWAY_1944_1155.cif
_cod_data_source_block           C1Br2O3Pb2
_cod_original_cell_volume        629.4424
_cod_original_formula_sum        'C1 Br2 O3 Pb2'
_cod_database_code               1542245
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
-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
Br1 Br-1 0 0 0.215 1 0.0
C1 C+4 0.328 0.828 0 1 0.0
O2 O-2 0.381 0.881 0.12 1 0.0
Br2 Br-1 0.335 0.835 0.5 1 0.0
Pb1 Pb+2 0.16 0.66 0.254 1 0.0
O1 O-2 0.222 0.722 0 1 0.0
