#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004531.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_9004531
_chemical_name 'Hanawaltite'
loop_
_publ_author_name
'Grice J D'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 37
_journal_year 1999
_journal_page_first 775
_journal_page_last 778
_publ_section_title
;
 Redetermination of the crystal structure of hanawaltite
;
_chemical_formula_sum 'Hg7 Cl2 O3'
_cell_length_a 11.796
_cell_length_b 13.890
_cell_length_c 6.471
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1060.250
_symmetry_space_group_name_H-M 'P b m a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,-z'
  '1/2-x,-y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Hg1   0.11630   0.58310   0.47050   0.02750
Hg2   0.29150   0.62900   0.67510   0.03160
Hg3   0.03880   0.75000   0.13360   0.02580
Hg4   0.24570   0.25000   0.14950   0.03370
Hg5   0.00000   0.50000   0.00000   0.02520
Cl1   0.25000   0.50000   0.07800   0.03820
Cl2   0.44600   0.75000   0.33500   0.03390
O1   0.36000   0.75000  -0.13200   0.04700
O2  -0.03000   0.55500   0.29700   0.02520