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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/1/54/20/1542011.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_1542011
loop_
_publ_author_name
'Mentzen, B.F.'
'Latrach, A.'
'Garnier, P.'
'Boher, P.'
'Bouix, J.'
_publ_section_title
;
 Structure cristalline de la phase haute temperature de Pb S O4 * 2 Pb O a
 973K
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              925
_journal_page_last               934
_journal_volume                  19
_journal_year                    1984
_chemical_formula_sum            'O6 Pb3 S'
_chemical_name_systematic        'Pb (S O4) (Pb O)2'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6782
_cell_length_b                   11.9565
_cell_length_c                   6.094
_cell_volume                     705.182
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Mentzen_MRBUAC_1984_1840.cif
_cod_data_source_block           O6Pb3S1
_cod_original_cell_volume        705.1818
_cod_original_formula_sum        'O6 Pb3 S1'
_cod_database_code               1542011
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-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
O1 O-2 0.145 0 0 1 0.0
O2 O-2 0.5 0.2525 0.447 1 0.0
O3 O-2 0.377 0.1115 0.25 1 0.0
Pb2 Pb+2 0.2782 0.0992 0.75 1 0.0
Pb1 Pb+2 0 0.1003 0.25 1 0.0
S1 S+6 0.5 0.1819 0.25 1 0.0
