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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/21/9012192.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_9012192
loop_
_publ_author_name
'Schutte, W. J.'
'de Boer, J. L.'
'Jellinek, F.'
_publ_section_title
;
 Crystal structures of tungsten disulfide and diselenide
 Sample: 3R polytype
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              207
_journal_page_last               209
_journal_paper_doi               10.1016/0022-4596(87)90057-0
_journal_volume                  70
_journal_year                    1987
_chemical_formula_sum            'S2 W'
_chemical_name_mineral           Tungstenite
_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                   3.158
_cell_length_b                   3.158
_cell_length_c                   18.49
_cell_formula_units_Z            3
_cell_volume                     159.695
_database_code_amcsd             0013602
_exptl_crystal_density_diffrn    7.736
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'W S2'
_cod_database_code               9012192
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
W 0.00000 0.00000 0.00000
S1 0.00000 0.00000 0.24970
S2 0.00000 0.00000 0.41900
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013602