#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009283.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_9009283
loop_
_publ_author_name
'Divjakovic, V.'
'Nowacki, W.'
_publ_section_title
;
 Die kristallstruktur von galchait [Hg0.76(Cu,Zn)0.24]12Tl0.96(AsS3)8
 Locality: Getchell mine, Humboldt County, Nevada, USA
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              291
_journal_page_last               293
_journal_volume                  1975
_journal_year                    1975
_chemical_formula_sum            'As4 Cu0.72 Hg4.56 S12 Tl Zn0.72'
_chemical_name_mineral           Galkhaite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.379
_cell_length_b                   10.379
_cell_length_c                   10.379
_cell_volume                     1118.064
_exptl_crystal_density_diffrn    5.633
_cod_original_formula_sum        '(Hg4.56 Cu.72 Zn.72) Tl As4 S12'
_cod_database_code               9009283
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-z,x,-y
1/2-z,1/2+x,1/2-y
-y,z,-x
1/2-y,1/2+z,1/2-x
-x,y,-z
1/2-x,1/2+y,1/2-z
x,-z,-y
1/2+x,1/2-z,1/2-y
z,-y,-x
1/2+z,1/2-y,1/2-x
y,-x,-z
1/2+y,1/2-x,1/2-z
x,z,y
1/2+x,1/2+z,1/2+y
z,y,x
1/2+z,1/2+y,1/2+x
y,x,z
1/2+y,1/2+x,1/2+z
-z,-x,y
1/2-z,1/2-x,1/2+y
-y,-z,x
1/2-y,1/2-z,1/2+x
-x,-y,z
1/2-x,1/2-y,1/2+z
z,-x,-y
1/2+z,1/2-x,1/2-y
y,-z,-x
1/2+y,1/2-z,1/2-x
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,z,-y
1/2-x,1/2+z,1/2-y
-z,y,-x
1/2-z,1/2+y,1/2-x
-y,x,-z
1/2-y,1/2+x,1/2-z
-x,-z,y
1/2-x,1/2-z,1/2+y
-z,-y,x
1/2-z,1/2-y,1/2+x
-y,-x,z
1/2-y,1/2-x,1/2+z
z,x,y
1/2+z,1/2+x,1/2+y
y,z,x
1/2+y,1/2+z,1/2+x
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Hg 0.06931 0.03220 0.03220 0.00000 0.00000 0.00000
Cu 0.06931 0.03220 0.03220 0.00000 0.00000 0.00000
Zn 0.06931 0.03220 0.03220 0.00000 0.00000 0.00000
Tl 0.07477 0.07477 0.07477 0.00000 0.00000 0.00000
As 0.02620 0.02620 0.02620 -0.00164 -0.00164 -0.00164
S 0.03766 0.03766 0.02838 -0.00764 0.00055 0.00055
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Hg 0.25000 0.50000 0.00000 0.76000 0.04445
Cu 0.25000 0.50000 0.00000 0.12000 0.04445
Zn 0.25000 0.50000 0.00000 0.12000 0.04445
Tl 0.00000 0.00000 0.00000 1.00000 0.07498
As 0.24560 0.24560 0.24560 1.00000 0.02622
S 0.38840 0.38840 0.16290 1.00000 0.03470