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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/9/01/16/9011665.cif $
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#
# 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_9011665
loop_
_publ_author_name
'Xu, Y. N.'
'Ching, W. Y.'
_publ_section_title
;
 Electronic, optical, and structural properties of some wurtzite crystals
 Note: 2H polytype
;
_journal_name_full               'Physical Review B'
_journal_page_first              4335
_journal_page_last               4351
_journal_paper_doi               10.1103/PhysRevB.48.4335
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'S Zn'
_chemical_name_mineral           Wurtzite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.811
_cell_length_b                   3.811
_cell_formula_units_Z            2
_cell_length_c                   6.234
_cell_volume                     78.411
_database_code_amcsd             0015179
_exptl_crystal_density_diffrn    4.128
_cod_original_formula_sum        'Zn S'
_cod_database_code               9011665
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn 0.66667 0.33333 0.00000
S 0.66667 0.33333 0.37500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015179