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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/55/9005571.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_9005571
loop_
_publ_author_name
'Armbruster, T.'
'Makovicky, E.'
'Berlepsch, P.'
'Sejkora, J.'
_publ_section_title
;
 Crystal structure, cation ordering, and polytypic character of diaphorite,
 Pb2Ag3Sb3S8, a PbS-based structure
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              137
_journal_page_last               146
_journal_paper_doi               10.1127/0935-1221/2003/0015-0137
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'Ag3.112 Pb1.888 S8 Sb3'
_chemical_name_mineral           Diaphorite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.165
_cell_angle_gamma                90
_cell_length_a                   17.8520
_cell_length_b                   5.8870
_cell_length_c                   15.8090
_cell_formula_units_Z            4
_cell_volume                     1491.191
_database_code_amcsd             0006959
_exptl_crystal_density_diffrn    6.007
_cod_original_formula_sum        'Pb1.888 Ag3.112 Sb3 S8'
_cod_database_code               9005571
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-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
Pb1 0.18973 -0.31003 0.54127 1.00000 0.02062
AgM1 0.06451 0.19426 0.34402 0.51600 0.02740
PbM1 0.06451 0.19426 0.34402 0.48400 0.02740
AgM2 0.30967 0.28176 0.22247 0.59600 0.03020
PbM2 0.30967 0.28176 0.22247 0.40400 0.03020
Ag3 0.43323 0.75810 0.14479 1.00000 0.04360
Ag4 0.19471 0.71170 0.28096 1.00000 0.04880
Sb1 0.31616 0.21030 0.46489 1.00000 0.01691
Sb2 0.43998 0.76228 0.39980 1.00000 0.01630
Sb3 -0.06306 -0.28248 0.39950 1.00000 0.01611
S1 0.21050 0.15180 0.52680 1.00000 0.02580
S2 -0.07340 0.12760 0.38230 1.00000 0.02480
S3 0.29638 0.62510 0.45152 1.00000 0.01710
S4 0.17373 0.15360 0.25980 1.00000 0.02910
S5 0.44417 0.35010 0.38960 1.00000 0.02350
S6 0.05450 0.67540 0.35830 1.00000 0.02030
S7 0.34461 0.81590 0.23088 1.00000 0.02230
S8 0.43137 0.19450 0.62829 1.00000 0.01890
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006959
