#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/80/9008071.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_9008071
loop_
_publ_author_name
'Niizeki, N.'
'Buerger, M. J.'
_publ_section_title
;
 The crystal structure of livingstonite, HgSb4S8
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              129
_journal_page_last               157
_journal_volume                  109
_journal_year                    1957
_chemical_compound_source        'Guerrido, Mexico'
_chemical_formula_sum            'Hg S8 Sb4'
_chemical_name_mineral           Livingstonite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.20
_cell_angle_gamma                90
_cell_length_a                   30.25
_cell_length_b                   4
_cell_length_c                   21.48
_cell_formula_units_Z            8
_cell_volume                     2519.666
_database_code_amcsd             0010580
_exptl_crystal_density_diffrn    4.978
_cod_original_formula_sum        'Hg Sb4 S8'
_cod_database_code               9008071
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,-y,z
1/2+x,1/2-y,1/2+z
1/2-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Hg1 0.00000 0.50000 0.00000 0.02001
Hg2 0.25000 0.00000 0.00000 0.02001
Sb1 0.12000 0.06300 0.07500 0.01381
Sb2 0.04200 0.09500 0.21400 0.01444
Sb3 0.13100 0.06400 0.42500 0.01191
Sb4 0.20800 0.07800 0.28700 0.00266
S1 0.06200 0.49300 0.09200 0.01343
S2 0.22900 0.02800 0.18000 0.00633
S3 0.17200 0.50600 0.03900 0.01532
S4 0.14900 0.52100 0.22200 0.00595
S5 0.18900 0.49400 0.40700 0.01216
S6 0.02200 0.02100 0.31800 0.00963
S7 0.07800 0.50700 0.46000 0.01127
S8 0.10200 0.48300 0.27700 0.00874
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010580
