#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/81/9008133.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_9008133
loop_
_publ_author_name
'Marumo, F.'
'Nowacki, W.'
_publ_section_title
;
 The crystal structure of hatchite, PbTlAgAs2S5
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              249
_journal_page_last               265
_journal_paper_doi               10.1524/zkri.1967.125.125.249
_journal_volume                  125
_journal_year                    1967
_chemical_compound_source        'Lengenbach quarry, Binnatal, Switzerland'
_chemical_formula_sum            'Ag As2 Pb S5 Tl'
_chemical_name_mineral           Hatchite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                66.42
_cell_angle_beta                 63.33
_cell_angle_gamma                84.97
_cell_length_a                   9.37
_cell_length_b                   7.84
_cell_length_c                   8.06
_cell_formula_units_Z            2
_cell_volume                     481.860
_database_code_amcsd             0010647
_exptl_crystal_density_diffrn    5.718
_cod_original_formula_sum        '(Pb Tl) Ag As2 S5'
_cod_database_code               9008133
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1 0.40640 0.24730 0.05740 0.60000
Tl1 0.40640 0.24730 0.05740 0.40000
Tl2 0.13220 0.69680 0.72490 0.60000
Pb2 0.13220 0.69680 0.72490 0.40000
Ag 0.08530 0.89100 0.15530 1.00000
As1 0.19280 0.45500 0.42280 1.00000
As2 0.36700 0.10680 0.66980 1.00000
S1 0.45200 0.37100 0.37100 1.00000
S2 0.24600 0.62400 0.09900 1.00000
S3 0.41400 0.86900 0.28600 1.00000
S4 0.09100 0.18200 0.47400 1.00000
S5 0.18300 0.21500 0.89100 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010647
