#------------------------------------------------------------------------------
#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/10/9011080.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_9011080
loop_
_publ_author_name
'Frueh, A. J.'
'Gray, N.'
_publ_section_title
;
 Confirmation and refinement of the structure of Hg3S2Cl2
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              156
_journal_page_last               157
_journal_volume                  24
_journal_year                    1968
_chemical_formula_sum            'Cl2 Hg3 S2'
_chemical_name_mineral           Corderoite
_space_group_IT_number           199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.949
_cell_length_b                   8.949
_cell_length_c                   8.949
_cell_volume                     716.677
_exptl_crystal_density_diffrn    6.829
_[local]_cod_chemical_formula_sum_orig 'Hg3 S2 Cl2'
_cod_database_code               9011080
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-z,-x,1/2+y
-z,1/2-x,+y
-z,1/2+x,1/2-y
1/2-z,+x,-y
1/2+z,1/2-x,-y
+z,-x,1/2-y
z,x,y
1/2+z,1/2+x,1/2+y
1/2+y,1/2-z,-x
+y,-z,1/2-x
1/2-y,-z,1/2+x
-y,1/2-z,+x
-y,1/2+z,1/2-x
1/2-y,+z,-x
y,z,x
1/2+y,1/2+z,1/2+x
-x,1/2+y,1/2-z
1/2-x,+y,-z
1/2+x,1/2-y,-z
+x,-y,1/2-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hg 0.30290 0.00000 0.25000 0.03470
S 0.27090 0.27090 0.27090 0.01900
Cl 0.01070 0.01070 0.01070 0.02280
_journal_paper_doi 10.1107/S0567740868001858