#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/76/9017625.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_9017625
loop_
_publ_author_name
'Makovicky, E.'
'Topa, D.'
_publ_section_title
;
 The crystal structure of barikaite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              3093
_journal_page_last               3104
_journal_volume                  77
_journal_year                    2013
_chemical_compound_source        'Barika deposit, Azarbaijan Province, Iran'
_chemical_formula_sum            'Ag0.75 As2.899 Pb2.434 S10 Sb1.917'
_chemical_name_mineral           Barikaite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.077
_cell_angle_gamma                90
_cell_length_a                   8.5325
_cell_length_b                   8.0749
_cell_length_c                   24.8284
_cell_formula_units_Z            4
_cell_volume                     1689.232
_database_code_amcsd             0020527
_exptl_crystal_density_diffrn    5.334
_cod_data_source_file            inputs/fixed/downloads/18/18532.cif
_cod_data_source_block           18532
_cod_original_formula_sum        'Pb2.434 As2.899 Sb1.917 Ag.75 S10'
_cod_database_code               9017625
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
Pb1 0.27441 0.23386 0.79636 1.00000 0.05740
Pb2 0.76999 0.23828 0.79357 1.00000 0.03750
As1 0.95630 0.15780 0.15716 1.00000 0.02170
As2 0.39430 0.18060 0.14870 0.54900 0.02130
Sb2 0.42680 0.18260 0.14180 0.45100 0.02130
As3 0.58100 0.17070 0.93950 0.82100 0.02280
Sb3 0.57640 0.14570 0.95270 0.17900 0.02280
Sb4 0.13230 0.14150 0.96118 1.00000 0.03720
As5 0.63310 0.02330 0.55020 0.52900 0.03080
Ag5 0.65790 0.00730 0.57730 0.47100 0.03080
Ag6 0.18350 0.02570 0.58240 0.27900 0.02040
Pb6 0.16320 0.08400 0.57310 0.43400 0.02040
Sb6 0.18390 0.04130 0.56660 0.28700 0.02040
S1 0.99490 0.00720 0.23540 1.00000 0.02510
S2 0.47670 0.03050 0.22610 1.00000 0.02790
S3 0.67700 0.17120 0.67530 1.00000 0.02280
S4 0.26940 0.16790 0.67870 1.00000 0.02470
S5 0.04670 0.12600 0.37940 1.00000 0.03040
S6 0.57370 0.16640 0.38510 1.00000 0.03270
S7 0.36740 0.00560 0.90680 1.00000 0.03370
S8 0.77170 0.01730 0.90200 1.00000 0.02470
S9 0.83810 0.17690 0.51000 1.00000 0.03280
S10 0.42430 0.19440 0.51470 1.00000 0.03250
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020527
