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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/21/9012191.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_9012191
loop_
_publ_author_name
'Schutte, W. J.'
'de Boer, J. L.'
'Jellinek, F.'
_publ_section_title
;
 Crystal structures of tungsten disulfide and diselenide
 Sample: 2H 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           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.1532
_cell_length_b                   3.1532
_cell_length_c                   12.323
_cell_volume                     106.108
_database_code_amcsd             0013601
_exptl_crystal_density_diffrn    7.762
_cod_original_formula_sum        'W S2'
_cod_database_code               9012191
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
W1 0.33333 0.66667 0.25000
S1 0.33333 0.66667 0.62250