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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/28/9012871.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_9012871
loop_
_publ_author_name
'Berlepsch, P.'
_publ_section_title
;Crystal structure and crystal chemistry of the homeotypes edenharterite
 (TlPbAs3S6) and jentschite (TlPbAs2SbS6) from Lengenbach, Binntal
 (Switzerland) Locality: Lengenbach quarry, Binntal, Valais, Switzerland
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              147
_journal_page_last               157
_journal_volume                  76
_journal_year                    1996
_chemical_compound_source
'Lengenbach quarry, Binntal, Valais, Switzerland'
_chemical_formula_sum            'As2.45 Pb S6 Sb0.55 Tl'
_chemical_name_mineral           Jentschite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.063
_cell_angle_gamma                90
_cell_length_a                   8.0958
_cell_length_b                   23.917
_cell_length_c                   5.8876
_cell_formula_units_Z            4
_cell_volume                     1083.816
_database_code_amcsd             0015411
_exptl_crystal_density_diffrn    5.237
_cod_original_formula_sum        'Tl Pb Sb.55 As2.45 S6'
_cod_database_code               9012871
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Tl 0.09640 0.06125 0.85970 1.00000 0.03440
Pb 0.05860 0.25436 0.91450 1.00000 0.01950
Sb -0.46250 0.07058 0.48960 0.55000 0.01950
As1 -0.46250 0.07058 0.48960 0.45000 0.01950
As2 -0.31260 0.15277 0.03540 1.00000 0.01500
As3 0.09660 0.16492 0.44500 1.00000 0.01880
S1 0.27840 0.01220 0.39200 1.00000 0.02210
S2 0.49080 0.08390 0.86900 1.00000 0.02440
S3 -0.20970 0.16370 0.72830 1.00000 0.01820
S4 -0.09760 0.09440 0.25700 1.00000 0.01840
S5 0.27320 0.16340 0.22000 1.00000 0.01910
S6 -0.06120 0.24260 0.30800 1.00000 0.01630
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015411
