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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/81/1538117.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_1538117
loop_
_publ_author_name
'Giuseppetti, G.'
'Mazzi, F.'
'Tadini, C.'
_publ_section_title
;
 The crystal structure of leadhillite: Pb4 (S O4) (C O3)2 (O H)2
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              255
_journal_page_last               268
_journal_volume                  1990
_journal_year                    1990
_chemical_formula_sum            'C2 H2 O12 Pb4 S'
_chemical_name_systematic        'Pb4 (S O4) (C O3)2 (O H)2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.23
_cell_length_b                   5.23
_cell_length_c                   11.59
_cell_volume                     274.547
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Giuseppetti_NJMMAW_1990_1274.cif
_cod_data_source_block           C2H2O12Pb4S1
_cod_original_cell_volume        274.5475
_cod_original_formula_sum        'C2 H2 O12 Pb4 S1'
_cod_database_code               1538117
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,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
O1 O-2 -0.322 -0.205 0.5 0.0833 0.0
O6 O-2 0.3333 0.6667 0.289 1 0.0
C1 C+4 0 0 0.143 1 0.0
O2 O-2 0.061 0.311 0.5 0.0833 0.0
Pb2 Pb+2 0.6667 0.3333 0.3242 1 0.0
O4 O-2 0.131 -0.053 0.605 0.0833 0.0
O5 O-2 -0.145 0.145 0.143 1 0.0
Pb1 Pb+2 0.3333 0.6667 0.1022 1 0.0
O3 O-2 0.131 -0.053 0.395 0.0833 0.0
S1 S+6 0 0 0.5 1 0.0
