#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/10/9011087.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_9011087
loop_
_publ_author_name
'Durovic, S.'
_publ_section_title
;
 The crystal structure of gamma-Hg3S2Cl2
 Sample: one-layer structure derived from superposition structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1661
_journal_page_last               1670
_journal_paper_doi               10.1107/S0567740868004814
_journal_volume                  24
_journal_year                    1968
_chemical_formula_sum            'Cl Hg1.5 S'
_chemical_name_mineral           Kenhsuite
_space_group_IT_number           35
_symmetry_space_group_name_Hall  'A -2 2'
_symmetry_space_group_name_H-M   'A 2 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.664
_cell_length_b                   16.82
_cell_length_c                   9.081
_cell_formula_units_Z            8
_cell_volume                     712.391
_database_code_amcsd             0009348
_exptl_crystal_density_diffrn    6.870
_cod_original_formula_sum        'Hg1.5 S Cl'
_cod_database_code               9011087
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
x,y,-z
x,1/2+y,1/2-z
x,-y,z
x,1/2-y,1/2+z
x,-y,-z
x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg1 0.50000 0.12500 0.25000 0.50000
Hg2 0.22180 0.15140 0.00000 1.00000
Hg3 0.18970 0.00000 0.27380 1.00000
S 0.24710 0.14230 0.25960 1.00000
Cl1a 0.47080 0.00000 0.00000 1.00000
Cl1b 0.47080 0.00000 0.50000 1.00000
Cl2a 0.01620 0.00000 0.00000 1.00000
Cl2b 0.01620 0.00000 0.50000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009348
_cod_duplicate_entry 9011086
