#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/95/1529571.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_1529571
loop_
_publ_author_name
'Aurivillius, B.'
_publ_section_title
;
 A case of mimetic twinning the crystal structure of Pb2 O F X (X = Cl, Br
 and I)
;
_journal_name_full               'Chemica Scripta'
_journal_page_first              208
_journal_page_last               210
_journal_volume                  11
_journal_year                    1977
_chemical_formula_sum            'Cl F O Pb2'
_chemical_name_systematic        'Pb2 O F Cl'
_space_group_IT_number           67
_symmetry_space_group_name_Hall  '-A 2 2b'
_symmetry_space_group_name_H-M   'A c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7521
_cell_length_b                   5.7269
_cell_length_c                   12.541
_cell_volume                     413.122
_citation_journal_id_ASTM        CSRPB9
_cod_data_source_file            Aurivillius_CSRPB9_1977_240.cif
_cod_data_source_block           Cl1F1O1Pb2
_cod_original_cell_volume        413.1219
_cod_original_sg_symbol_Hall     '-C 2a 2 (z,y,-x)'
_cod_original_formula_sum        'Cl1 F1 O1 Pb2'
_cod_database_code               1529571
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z+1/2
-x,-y,z
-x,y,-z+1/2
-x,-y,-z
-x,y,z-1/2
x,y,-z
x,-y,z-1/2
x,y+1/2,z+1/2
x,-y+1/2,-z+1
-x,-y+1/2,z+1/2
-x,y+1/2,-z+1
-x,-y+1/2,-z+1/2
-x,y+1/2,z
x,y+1/2,-z+1/2
x,-y+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
F1 F-1 0.5 0 0.25 1 0.0
O1 O-2 0 0 0.25 1 0.0
Cl1 Cl-1 0.2227 0.25 0.5 1 0.0
Pb1 Pb+2 0.22046 0.25 0.14651 1 0.0
