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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/9/01/28/9012870.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_9012870
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            'As2.93 Pb S6 Sb0.07 Tl'
_chemical_name_mineral           Edenharterite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.4764
_cell_length_b                   47.602
_cell_length_c                   5.8489
_cell_formula_units_Z            16
_cell_volume                     4308.929
_database_code_amcsd             0015410
_exptl_crystal_density_diffrn    5.130
_cod_original_formula_sum        'Tl Pb As2.93 Sb.07 S6'
_cod_database_code               9012870
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
1/4+x,1/4-y,1/4+z
1/4+x,3/4-y,3/4+z
3/4+x,1/4-y,3/4+z
3/4+x,3/4-y,1/4+z
1/4-x,1/4+y,1/4+z
1/4-x,3/4+y,3/4+z
3/4-x,1/4+y,3/4+z
3/4-x,3/4+y,1/4+z
-x,1/2-y,1/2+z
-x,-y,+z
1/2-x,1/2-y,+z
1/2-x,-y,1/2+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 0.29520 0.03053 0.18500 1.00000 0.03460
Pb 0.02544 0.12228 -0.00080 1.00000 0.02010
As1 0.01200 0.03411 0.11560 0.93000 0.02400
Sb 0.01200 0.03411 0.11560 0.07000 0.02400
As2 0.09620 0.07577 0.56560 1.00000 0.01970
As3 0.30290 0.08303 0.77570 1.00000 0.01990
S1 0.39270 0.00450 0.62100 1.00000 0.02320
S2 0.49750 0.04050 0.00100 1.00000 0.02580
S3 0.14250 0.08090 0.20400 1.00000 0.01800
S4 0.20680 0.04700 0.68200 1.00000 0.02050
S5 -0.11570 0.08150 -0.04100 1.00000 0.02100
S6 0.22090 0.12130 0.70800 1.00000 0.02080
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015410
