#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/00/9000004.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_9000004
loop_
_publ_author_name
'Ramsdell, L. S.'
_publ_section_title
;
 The crystal structures of some metallic sulfides
;
_journal_name_full               'American Mineralogist'
_journal_page_first              281
_journal_page_last               304
_journal_volume                  10
_journal_year                    1925
_chemical_compound_source        unknown
_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                   4.15
_cell_length_b                   4.15
_cell_length_c                   9.51
_cell_formula_units_Z            3
_cell_volume                     141.843
_database_code_amcsd             0000007
_exptl_crystal_density_diffrn    8.171
_cod_database_code               9000004
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Hg 0.33333 0.33333 0.00000
S 0.33333 0.33333 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000007
