#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/00/9000085.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_9000085
loop_
_publ_author_name
'Evans, H. T.'
'McKnight, E. T.'
_publ_section_title
;
 New wurtzite polytypes from Joplin, Missouri
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1210
_journal_page_last               1218
_journal_volume                  44
_journal_year                    1959
_chemical_formula_sum            'S Zn'
_chemical_name_mineral           Wurtzite-10H
_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                   3.824
_cell_length_b                   3.824
_cell_length_c                   31.20
_cell_formula_units_Z            10
_cell_volume                     395.113
_database_code_amcsd             0000088
_exptl_crystal_density_diffrn    4.096
_cod_original_formula_sum        'Zn5 S5'
_cod_database_code               9000085
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
Zn1 0.00000 0.00000 0.00000
Zn2 0.00000 0.00000 0.30000
Zn3 0.33333 0.66667 0.10000
Zn4 0.33333 0.66667 0.40000
Zn5 0.33333 0.66667 0.70000
S1 0.00000 0.00000 0.07500
S2 0.00000 0.00000 0.37500
S3 0.33333 0.66667 0.17500
S4 0.33333 0.66667 0.47500
S5 0.33333 0.66667 0.77500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000088
