#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009816.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_9009816
_chemical_name 'Hg3Te2BrI'
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
;
_chemical_formula_sum 'Hg3 Te2 Br I'
_cell_length_a 18.376
_cell_length_b 9.587
_cell_length_c 10.575
_cell_angle_alpha 90
_cell_angle_beta 90.12
_cell_angle_gamma 90
_cell_volume 1863.001
_symmetry_space_group_name_H-M 'C 1 2 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,y,-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_Uiso_or_equiv
Hg1   0.00000   0.76000   0.50000   0.05193
Hg2   0.00000   0.30000   0.50000   0.06459
Hg3   0.75280   0.76700   0.49830   0.05826
Hg4   0.77140   0.50400   0.21550   0.06206
Hg5   0.98020   0.00000   0.22760   0.10259
Hg6   0.87520   0.71600   0.80180   0.05826
Hg7   0.12490   0.28300   0.21460   0.04433
Te1   0.76970   0.78000   0.24810   0.01393
Te2   0.98060   0.73700   0.24180   0.02406
Te3   0.23590   0.23200   0.74600   0.03166
Te4   0.01880   0.28500   0.74040   0.01520
Br1   0.87220   0.49600   0.51990   0.01646
Br2   0.87840   0.50700   0.99200   0.01393
I1   0.87710   0.00800   0.52960   0.03293
I2   0.87490   0.01000   0.97680   0.03040