#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/14/9011424.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_9011424
loop_
_publ_author_name
'Ohmasa, M.'
'Nowacki, W.'
_publ_section_title
;
 The crystal structure of vrbaite, Hg3Tl4As8Sb2S20
 Locality: Allchar, Macedonia
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              360
_journal_page_last               380
_journal_paper_doi               10.1524/zkri.1971.134.5-6.360
_journal_volume                  134
_journal_year                    1971
_chemical_formula_sum            'As8 Hg3 S20 Sb2 Tl4'
_chemical_name_mineral           Vrbaite
_space_group_IT_number           41
_space_group_name_Hall           'A 2 -2ab'
_space_group_name_H-M_alt        'A e a 2'
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A e a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.287
_cell_length_b                   23.389
_cell_length_c                   13.399
_cell_formula_units_Z            4
_cell_volume                     3537.224
_exptl_crystal_density_diffrn    5.452
_cod_original_sg_symbol_H-M      'A b a 2'
_cod_original_formula_sum        'Hg3 Tl4 As8 Sb2 S20'
_cod_database_code               9011424
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,1/2-y,z
1/2+x,-y,1/2+z
1/2-x,1/2+y,z
1/2-x,+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
Hg1 0.00000 0.00000 0.00000
Hg2 0.07614 0.05623 0.50323
Tl1 0.20730 0.38707 0.25336
Tl2 0.43836 0.27189 0.24997
As1 0.09991 0.05352 0.24328
As2 0.39537 0.04862 0.26024
As3 0.40562 0.30217 0.50620
As4 0.10902 0.29338 0.50094
Sb 0.28910 0.15836 0.49086
S1 0.01020 0.09060 0.10970
S2 0.18010 0.49540 0.38280
S3 0.24810 0.36430 0.50300
S4 0.17610 0.49960 0.12660
S5 0.47830 0.16620 0.39160
S6 0.18800 0.23430 0.38390
S7 0.25260 0.11850 0.25770
S8 0.47770 0.40920 0.35940
S9 0.47720 0.15710 0.11600
S10 0.17150 0.23490 0.11440
_database_code_amcsd 0010725
