#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009817.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009817
_chemical_name 'Arzakite'
loop_
_publ_author_name
'Minets Y V'
'Voroshilov Y V'
'Pan'ko V V'
_journal_name_full "Journal of Alloys and Compounds"
_journal_volume 367
_journal_year 2004
_journal_page_first 109
_journal_page_last 114
_publ_section_title
;
 The structures of mercury chalcogenhalogenides Hg3X2Hal2
 Note: synthetic, superstructure
;
_chemical_formula_sum 'Hg6 S4 Br3 I'
_cell_length_a 13.32
_cell_length_b 13.32
_cell_length_c 4.465
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 792.191
_symmetry_space_group_name_H-M 'P 4 21 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,x,-z'
  '1/2-y,1/2+x,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,z'
  '-y,-x,-z'
  '1/2+y,1/2-x,z'
  '1/2+x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Hg1   0.35040   0.11410   0.49700   1.00000   0.03090
Hg2   0.80260   0.02500  -0.00100   0.50000   0.02052
S   0.46750   0.25040   0.50900   1.00000   0.01013
Br1   0.22390   0.22390   0.00000   1.00000   0.01013
Br2   0.50000   0.00000  -0.00400   1.00000   0.01013
I   0.00000   0.00000   0.00000   1.00000   0.01672