#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010615.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_1010615
_chemical_name_systematic          'Mercury bromide'
_chemical_formula_structural       'Hg Br2'
_chemical_formula_sum              'Br2 Hg'
_publ_section_title
;
Die Kristallstruktur des Quecksilberbromides
;
loop_
_publ_author_name
  'Verweel, H J'
  'Bijvoet, J M'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    77
_journal_year                      1931
_journal_page_first                122
_journal_page_last                 139
_cell_length_a                     4.67
_cell_length_b                     6.85
_cell_length_c                     12.45
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       398.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C m c 21'
_symmetry_Int_Tables_number        36
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,z'
  '-x,-y,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Hg2+   2.000
  Br1-  -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Hg1   Hg2+   4 a 0. 0.334(7) 0. 1.  0 d
  Br1   Br1-   4 a 0. 0.056(14) 0.132(7) 1.  0 d
  Br2   Br1-   4 a 0. 0.389(14) 0.368(7) 1.  0 d
_cod_database_code 1010615