#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1011369.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_1011369
_chemical_name_systematic          'Mercury sulfide'
_chemical_name_mineral             'Cinnabar'
_chemical_formula_structural       'Hg S'
_chemical_formula_sum              'Hg S'
_publ_section_title
;
The cyrstal-structures of the sulphides of mercury.
;
loop_
_publ_author_name
  'Buckley, H E'
  'Vernon, W S'
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_coden_ASTM                MIASA6
_journal_volume                    20
_journal_year                      1925
_journal_page_first                382
_journal_page_last                 392
_cell_length_a                     4.16
_cell_length_b                     4.16
_cell_length_c                     9.54
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       143.0
_cell_formula_units_Z              3
_exptl_crystal_density_meas        8.09
_symmetry_space_group_name_H-M     'P 31 2 1'
_symmetry_Int_Tables_number        152
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,1/3+z'
  'y-x,-x,2/3+z'
  'y,x,-z'
  '-x,y-x,1/3-z'
  'x-y,-y,2/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Hg2+   2.000
  S2-   -2.000
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+   3 a 0.3333 0. 0.3333 1.  0 d
  S1    S2-    3 b 0.21 0. 0.8333 1.  0 d