#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/33/1513338.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_1513338
loop_
_publ_author_name
'Richardson, J.W.jr.'
'Steele, I.M.'
'Pluth, J.J.'
_publ_section_title
;
 Crystal structure of tribasic lead sulfate (3(Pb O).(Pb S O4).(H2 O)) by
 X-rays and neutrons: an intermediate phase in the production of lead acid
 batteries
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              173
_journal_page_last               181
_journal_paper_doi               10.1006/jssc.1997.7440
_journal_volume                  132
_journal_year                    1997
_chemical_formula_sum            'H2 O8 Pb4 S'
_chemical_name_systematic        '(Pb O)3 (Pb (S O4)) (H2 O)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.26
_cell_angle_beta                 79.37
_cell_angle_gamma                88.16
_cell_formula_units_Z            2
_cell_length_a                   6.378
_cell_length_b                   7.454
_cell_length_c                   10.308
_cell_volume                     465.741
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            PbSOH.cif
_cod_data_source_block           TribasicLeadSulfate
_cod_original_cell_volume        465.7414
_cod_original_formula_sum        'H2 O8 Pb4 S1'
_cod_database_code               1513338
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
O2 O-2 0.1353 0.4156 -0.0926 1 0.0
S1 S+6 0.3006 0.2396 0.325 1 0.0
O8 O-2 0.2905 0.0361 0.3677 1 0.0
O1 O-2 0.3968 0.2048 0.7439 1 0.0
Pb1 Pb+2 0.22887 0.61432 0.0289 1 0.0
O5 O-2 0.1329 0.3037 0.2403 1 0.0
Pb2 Pb+2 0.24292 0.118 0.00669 1 0.0
Pb4 Pb+2 0.81869 0.00098 0.31843 1 0.0
O7 O-2 0.2666 0.318 0.4427 1 0.0
O3 O-2 0.0401 0.7533 0.2703 1 0.0
Pb3 Pb+2 0.77852 0.51694 0.322 1 0.0
O6 O-2 0.5086 0.3015 0.2367 1 0.0
O4 O-2 0.8855 0.1008 0.0864 1 0.0
