#------------------------------------------------------------------------------
#$Date: 2023-03-27 08:00:38 +0100 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/78/9017849.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_9017849
loop_
_publ_author_name
'Borisov, S. V.'
'Perukhina, N. V.'
'Magarill, S. A.'
'Kuratieva, N. V.'
'Vasil'ev, V. I.'
_publ_section_title
;
 Crystallographic analysis of the structure of livingstonite HgSb4S8 from refined data
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              224
_journal_page_last               228
_journal_volume                  55
_journal_year                    2010
_chemical_compound_source        'Khaydarkan, Kyrgyzstan'
_chemical_formula_sum            'Hg S8 Sb4'
_chemical_name_mineral           Livingstonite
_space_group_IT_number           15
_space_group_name_Hall           '-A 2ya'
_space_group_name_H-M_alt        'A 1 2/a 1'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.265
_cell_angle_gamma                90
_cell_length_a                   30.1543
_cell_length_b                   3.9953
_cell_length_c                   21.4262
_cell_volume                     2501.740
_database_code_amcsd             0020982
_exptl_crystal_density_diffrn    5.013
_cod_data_source_file            inputs/fixed/downloads/20/20866.cif
_cod_data_source_block           20866
_cod_original_formula_sum        'Hg Sb4 S8'
_cod_database_code               9017849
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 0.02300
Hg2 0.25000 0.00340 0.00000 0.02200
Sb1 0.04230 0.06500 0.21330 0.01400
Sb2 0.11940 0.05890 0.07510 0.01800
Sb3 0.13050 0.06200 0.42530 0.01800
Sb4 0.20830 0.10150 0.28630 0.01400
S1 0.02200 0.01380 0.31830 0.01400
S2 0.05950 0.50130 0.09360 0.01500
S3 0.07740 0.51210 0.46130 0.01400
S4 0.10140 0.48660 0.27810 0.01500
S5 0.14870 0.52260 0.22240 0.01600
S6 0.17270 0.51280 0.03940 0.01400
S7 0.18990 0.50850 0.40630 0.01500
S8 0.22780 0.03270 0.18140 0.01400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020982