#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/43/8104331.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_8104331
loop_
_publ_author_name
'Pertlik, F.'
_publ_section_title
;
 The single chain arsenites Pb(AsO2)Cl and Pb(AsO2)3Cl. Preparation and
 structure investigation
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              191
_journal_page_last               201
_journal_volume                  184
_journal_year                    1988
_chemical_formula_sum            'As Cl O2 Pb'
_chemical_name_systematic        'Pb (As O2) Cl'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.933
_cell_length_b                   9.923
_cell_length_c                   11.374
_cell_volume                     782.488
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Pertlik_ZEKRDZ_1988_1459.cif
_cod_data_source_block           As1Cl1O2Pb1
_cod_original_cell_volume        782.4875
_cod_original_formula_sum        'As1 Cl1 O2 Pb1'
_cod_database_code               8104331
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
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
Pb2 Pb+2 0.0756 0.997 0.0092 1 0.0
Pb1 Pb+2 0.3388 0.3328 0.2839 1 0.0
O4 O-2 0.3399 0.4758 0.8449 1 0.0
O1 O-2 0.2936 0.4312 0.0982 1 0.0
O3 O-2 0.1609 0.2549 0.9282 1 0.0
Cl2 Cl-1 0.1598 0.9835 0.7396 1 0.0
O2 O-2 0.03 0.254 0.1474 1 0.0
Cl1 Cl-1 0.0623 0.23 0.4663 1 0.0
As1 As+3 0.0764 0.382 0.0347 1 0.0
As2 As+3 0.2981 0.3096 0.7994 1 0.0
