#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/03/2020348.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_2020348
loop_
_publ_author_name
'Wiegers, G.A.'
'Meetsma, A.'
'Haange, R.J.'
'de Boer, J.L.'
_publ_section_title
;
 Structure of tin hafnium sulfide and lead hafnium sulfide
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              847
_journal_page_last               849
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'Hf Pb S3'
_chemical_name_systematic        'Pb Hf S3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.988
_cell_length_b                   3.739
_cell_length_c                   13.924
_cell_volume                     467.932
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Wiegers_ACSCEE_1989_738.cif
_cod_data_source_block           Hf1Pb1S3
_cod_original_cell_volume        467.9318
_cod_original_formula_sum        'Hf1 Pb1 S3'
_cod_database_code               2020348
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
S1 S-2 0.2731 0.25 0.2154 1 0.0
S3 S-2 0.013 0.25 0.8948 1 0.0
Pb1 Pb+2 0.51515 0.25 0.82589 1 0.0
Hf1 Hf+4 0.16611 0.25 0.05057 1 0.0
S2 S-2 0.1683 0.25 0.4902 1 0.0
