#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/81/9008157.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9008157
loop_
_publ_author_name
'Ribar, B.'
'Nowacki, W.'
_publ_section_title
;
 Neubestimmung der kristallstruktur von gratonit, Pb9As4S15
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              321
_journal_page_last               338
_journal_paper_doi               10.1524/zkri.1969.128.3-6.321
_journal_volume                  128
_journal_year                    1969
_chemical_compound_source        'Wiesloch, Germany'
_chemical_formula_sum            'As4 Pb9 S15'
_chemical_name_mineral           Gratonite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   17.758
_cell_length_b                   17.758
_cell_length_c                   7.807
_cell_formula_units_Z            3
_cell_volume                     2132.077
_database_code_amcsd             0010673
_exptl_crystal_density_diffrn    6.181
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Pb9 As4 S15'
_cod_database_code               9008157
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb1 0.77540 0.75640 -0.00040
Pb2 0.75390 0.24610 -0.15810
As1 0.52250 0.47750 -0.11790
As2 0.00000 0.00000 0.05690
S1 0.36630 0.08760 -0.32490
S2 0.91450 0.08550 -0.28260
S3 0.60090 0.39910 -0.47040
S4 0.14840 0.85160 -0.23000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010673
