#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009904.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_9009904
_chemical_name 'Terlinguaite'
loop_
_publ_author_name
'Aurivillius K'
'Folkmarson L'
_journal_name_full "Acta Chemica Scandinavica"
_journal_volume 22
_journal_year 1968
_journal_page_first 2529
_journal_page_last 2540
_publ_section_title
;
 The crystal structure of terlinguaite Hg4O2Cl2
 Locality: Terlingua, Texas, USA
;
_chemical_formula_sum 'Hg2 O Cl'
_cell_length_a 19.515
_cell_length_b 5.915
_cell_length_c 9.478
_cell_angle_alpha 90
_cell_angle_beta 143.81
_cell_angle_gamma 90
_cell_volume 646.002
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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   0.25000   0.25000   0.00000 ?
Hg2   0.00000   0.59100   0.25000 ?
Hg3   0.04900   0.19460   0.20160 ?
O   0.07900   0.17900   0.72200   0.00722
Cl   0.19460   0.29500   0.24400   0.01646