#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/20/9012082.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012082
loop_
_publ_author_name
'Auvray, P.'
'Genet, F.'
_publ_section_title
;
 Affinement de la structure cristalline du cinabre a-HgS
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              218
_journal_page_last               219
_journal_volume                  96
_journal_year                    1973
_chemical_formula_sum            'Hg S'
_chemical_name_mineral           Cinnabar
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.145
_cell_length_b                   4.145
_cell_length_c                   9.496
_cell_formula_units_Z            3
_cell_volume                     141.293
_database_code_amcsd             0012137
_exptl_crystal_density_diffrn    8.203
_cod_database_code               9012082
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,-z
-y,x-y,2/3+z
-x,-x+y,2/3-z
-x+y,-x,1/3+z
x-y,-y,1/3-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Hg 0.02559 0.03003 0.02787 0.00000 0.00518 0.00000
S 0.01860 0.01625 0.02558 0.00000 0.00432 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Hg 0.71980 0.00000 0.66667
S 0.48890 0.00000 0.16667
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012137
