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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/81/9008179.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_9008179
loop_
_publ_author_name
'Ribar, B.'
'Nicca, C.'
'Nowacki, W.'
_publ_section_title
;Dreidimensionale verfeinerung der kristallstruktur von dufrenoysit, Pb8As8S20
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              15
_journal_page_last               40
_journal_volume                  130
_journal_year                    1969
_chemical_compound_source        'Lengenbach, Binnatal, Switzerland'
_chemical_formula_sum            'As2 Pb2 S5'
_chemical_name_mineral           Dufrenoysite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.35
_cell_angle_gamma                90
_cell_length_a                   7.90
_cell_length_b                   25.740
_cell_length_c                   8.37
_cell_formula_units_Z            8
_cell_volume                     1701.974
_database_code_amcsd             0010695
_exptl_crystal_density_diffrn    5.655
_cod_original_formula_sum        'Pb2 As2 S5'
_cod_database_code               9008179
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb1 0.01420 0.00040 0.87580
Pb2 0.97510 0.49750 0.63220
Pb3 0.52530 0.09440 0.87590
Pb4 0.51530 0.09510 0.38190
Pb5 0.18970 0.22500 0.87990
Pb6 0.31930 0.37230 0.13840
Pb7 0.66670 0.25500 0.64480
Pb8 0.21410 0.22810 0.39940
As1 0.95670 0.14260 0.16870
As2 0.94480 0.13450 0.63330
As3 0.55900 0.46070 0.88870
As4 0.54220 0.45140 0.44140
As5 0.88370 0.36260 0.37480
As6 0.88370 0.35180 0.95010
As7 0.29870 0.35300 0.63910
As8 0.63560 0.23430 0.11990
S1 0.27140 0.03100 0.11930
S2 0.79500 0.07200 0.13100
S3 0.11920 0.11000 0.82200
S4 0.40530 0.18170 0.12500
S5 0.77410 0.19580 0.91500
S6 0.44000 0.30810 0.40910
S7 0.44880 0.30660 0.85350
S8 0.06160 0.29760 0.63260
S9 0.04300 0.29980 0.11500
S10 0.07520 0.41360 0.89670
S11 0.39260 0.48500 0.08750
S12 0.73850 0.39770 0.15330
S13 0.73060 0.40270 0.58850
S14 0.30120 0.02170 0.60380
S15 0.76980 0.06600 0.63160
S16 0.10610 0.11340 0.39630
S17 0.42480 0.18220 0.61670
S18 0.77820 0.19260 0.31870
S19 0.10490 0.41870 0.37550
S20 0.39200 0.48190 0.66630
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010695
