#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/43/1534339.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_1534339
loop_
_publ_author_name
'Bystroem, A.'
'Wilhelmi, K.A.'
_publ_section_title
;
 The crystal structure of diaboleite, Pb2 Cu (O H)4 Cl2
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              397
_journal_page_last               404
_journal_volume                  2
_journal_year                    1950
_chemical_formula_sum            'Cl2 Cu H4 O4 Pb2'
_chemical_name_systematic        'Pb2 Cu (O H)4 Cl2'
_space_group_IT_number           99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.87
_cell_length_b                   5.87
_cell_length_c                   5.494
_cell_volume                     189.306
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Bystroem_ARKEAD_1950_230.cif
_cod_data_source_block           H4Cl2Cu1O4Pb2
_cod_original_cell_volume        189.3062
_cod_original_formula_sum        'H4 Cl2 Cu1 O4 Pb2'
_cod_database_code               1534339
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
Cu1 Cu+2 0 0 0.278 1 0.0
O1 O-2 0.25 0.25 0.278 1 0.0
Cl2 Cl-1 0.5 0.5 -0.125 1 0.0
Cl1 Cl-1 0 0 -0.222 1 0.0
Pb1 Pb+2 0.5 0 0 1 0.0
