#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/77/9007762.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9007762
loop_
_publ_author_name
'Effenberger, H.'
'Miletich, R.'
'Pertlik, F.'
_publ_section_title
;
 Structure of dilead(II) hydrogenarsenate(III) dichloride
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              541
_journal_page_last               543
_journal_paper_doi               10.1107/S0108270189008863
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Pb2AsO2OHCl2
_chemical_formula_sum            'As Cl2 O3 Pb2'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.69
_cell_angle_gamma                90
_cell_length_a                   6.410
_cell_length_b                   5.525
_cell_length_c                   9.293
_cell_formula_units_Z            2
_cell_volume                     329.090
_database_code_amcsd             0010122
_exptl_crystal_density_diffrn    6.138
_cod_original_formula_sum        'Pb2 As O3 Cl2'
_cod_database_code               9007762
_amcsd_formula_title             Pb2AsO2OHCl2
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1 0.28878 0.25000 0.44178 0.01950
Pb2 0.52952 0.25000 0.83910 0.02350
As 0.77340 0.25000 0.31270 0.01670
O1 0.74150 0.25000 0.12100 0.03600
O2 0.59550 0.01440 0.35190 0.01900
Cl1 0.24030 0.25000 0.09870 0.03100
Cl2 0.88620 0.25000 0.65870 0.02600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010122
