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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/67/1526770.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_1526770
loop_
_publ_author_name
'Krivovichev, S.V.'
'Burns, P.C.'
_publ_section_title
;
 Crystal structure of Pb3 O2 (O H) Br, a Br-analogue of damaraite
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              455
_journal_page_last               459
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'Br H O3 Pb3'
_chemical_name_systematic        'Pb3 O2 (O H) Br'
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8447
_cell_length_b                   7.0715
_cell_length_c                   15.309
_cell_volume                     632.733
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Krivovichev_SSSCFJ_2001_1961.cif
_cod_data_source_block           H1Br1O3Pb3
_cod_original_cell_volume        632.7332
_cod_original_formula_sum        'H1 Br1 O3 Pb3'
_cod_database_code               1526770
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,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
O2 O-2 0.244 0.456 0.675 1 0.0
Pb1 Pb+2 0.5 0.6955 0.68 1 0.0
Br2 Br-1 0.5 -0.0607 0.3509 1 0.0
Pb4 Pb+2 0 0.5279 0.5551 1 0.0
Pb3 Pb+2 0.5 0.584 0.9166 1 0.0
Pb2 Pb+2 0.5 0.2065 0.62552 1 0.0
O1 O-2 0.245 0.711 0.004 1 0.0
Pb6 Pb+2 0 0.0839 0.44236 1 0.0
O3 O-2 0 0.696 0.827 1 0.0
Pb5 Pb+2 0 0.3745 0.77976 1 0.0
Br1 Br-1 0 -0.0343 0.6561 1 0.0
O4 O-2 0.5 0.656 0.524 1 0.0
