#------------------------------------------------------------------------------
#$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/13/1011369.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
loop_
_publ_author_name
'Buckley, H E'
'Vernon, W S'
_publ_section_title
;
The cyrstal-structures of the sulphides of mercury.
;
_journal_coden_ASTM              MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first              382
_journal_page_last               392
_journal_paper_doi               10.1180/minmag.1925.020.110.02
_journal_volume                  20
_journal_year                    1925
_chemical_formula_structural     'Hg S'
_chemical_formula_sum            'Hg S'
_chemical_name_mineral           Cinnabar
_chemical_name_systematic        'Mercury sulfide'
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.16
_cell_length_b                   4.16
_cell_length_c                   9.54
_cell_volume                     143.0
_exptl_crystal_density_meas      8.09
_cod_database_code               1011369
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Hg2+ 2.000
S2- -2.000