#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/33/1513337.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_1513337
loop_
_publ_author_name
'Steele, I.M.'
'Pluth, J.J.'
_publ_section_title
;
 Crystal structure of tetrabasic lead sulfate (4(Pb O).(Pb S O4))
;
_journal_name_full               'Journal of the Electrochemical Society'
_journal_page_first              528
_journal_page_last               533
_journal_paper_doi               10.1149/1.1838298
_journal_volume                  145
_journal_year                    1998
_chemical_formula_sum            'O8 Pb5 S'
_chemical_name_systematic        '(Pb O)4 (Pb (S O4))'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.93
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.297
_cell_length_b                   11.698
_cell_length_c                   11.498
_cell_volume                     981.344
_citation_journal_id_ASTM        JESOAN
_cod_data_source_file            PbSO.cif
_cod_data_source_block           TetrabasicLeadSulfate
_cod_original_cell_volume        981.3435
_cod_original_formula_sum        'O8 Pb5 S1'
_cod_database_code               1513337
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
O8 O-2 0.2781 0.0051 0.1019 1 0.0
O2 O-2 0.6116 0.0986 0.4979 1 0.0
Pb2 Pb+2 0.12241 0.91011 0.38955 1 0.0
Pb4 Pb+2 0.37523 0.06203 0.61724 1 0.0
O6 O-2 0.2384 0.1987 0.1264 1 0.0
O4 O-2 0.8623 0.1738 0.2921 1 0.0
O5 O-2 0.3702 0.0916 0.2805 1 0.0
Pb1 Pb+2 0.10983 0.24462 0.3862 1 0.0
O1 O-2 0.8678 -0.0861 0.5086 1 0.0
Pb3 Pb+2 0.62965 0.25913 0.38722 1 0.0
Pb5 Pb+2 0.8663 0.4221 0.6288 1 0.0
O7 O-2 0.5338 0.1328 0.1084 1 0.0
O3 O-2 0.8716 0.2756 0.5125 1 0.0
S1 S+6 0.3578 0.1048 0.1518 1 0.0
