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#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/03/2020383.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020383
loop_
_publ_author_name
'Skowron, A.'
'Brown, I.D.'
_publ_section_title
;
 Structure of Pb2 Sb2 S5
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              534
_journal_page_last               536
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'Pb2 S5 Sb2'
_chemical_name_systematic        'Pb2 Sb2 S5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.355
_cell_length_b                   19.783
_cell_length_c                   4.042
_cell_volume                     907.979
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Skowron_ACSCEE_1990_1402.cif
_cod_data_source_block           Pb2S5Sb2
_cod_original_cell_volume        907.9785
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               2020383
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
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
S1 S-2 0.49501 0.267 0.25 1 0.0
Pb3 Pb+2 0.16781 0.20858 0.25 0.92 0.0
Sb2 Sb+3 0.70221 0.47582 0.25 0.82 0.0
Pb2 Pb+2 0.49835 0.09918 0.25 0.9 0.0
S5 S-2 0.74949 0.1712 0.25 1 0.0
Sb3 Sb+3 0.49835 0.09918 0.25 0.1 0.0
Sb4 Sb+3 0.16781 0.20858 0.25 0.08 0.0
S2 S-2 0.68168 0.86848 0.25 1 0.0
Pb1 Pb+2 0.70221 0.47582 0.25 0.18 0.0
Sb1 Sb+3 0.37573 0.37148 0.25 1 0.0
S3 S-2 0.13098 0.4788 0.25 1 0.0
S4 S-2 0.06594 0.07792 0.25 1 0.0
