#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/69/9016920.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_9016920
loop_
_publ_author_name
'Yang, H.'
'Downs, R. T.'
'Evans, S. H.'
'Pinch, W. W.'
_publ_section_title
;
 Terrywallaceite, AgPb(Sb,Bi)3S6, isotypic with gustavite, a new mineral from
 Mina Herminia, Julcani Mining District, Huancavelica, Peru
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1310
_journal_page_last               1131
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source
'Mina Herminia, Julcani Mining District, Huancavelica, Peru'
_chemical_formula_sum            'Ag Bi1.47 Pb S6 Sb1.53'
_chemical_name_mineral           Terrywallaceite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.519
_cell_angle_gamma                90
_cell_length_a                   6.9764
_cell_length_b                   19.3507
_cell_length_c                   8.3870
_cell_formula_units_Z            4
_cell_volume                     1079.714
_database_code_amcsd             0019975
_exptl_crystal_density_diffrn    6.158
_cod_data_source_file            inputs/fixed/downloads/05/05548.cif
_cod_data_source_block           05548
_cod_original_formula_sum        'Ag Pb (Bi1.47 Sb1.53) S6'
_cod_database_code               9016920
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
Ag 0.13556 0.36504 0.28477 1.00000 0.04650
Pb 0.63960 0.25004 0.15889 1.00000 0.02545
Bi1 0.18850 0.35966 0.79992 0.82000 0.01639
Sb1 0.18850 0.35966 0.79992 0.18000 0.01639
Bi2 0.25787 0.54936 0.56150 0.60000 0.01644
Sb2 0.25787 0.54936 0.56150 0.40000 0.01644
Bi3 0.72321 0.44406 0.92624 0.05000 0.01552
Sb3 0.72321 0.44406 0.92624 0.95000 0.01552
S1 0.01486 0.49183 0.28695 1.00000 0.02173
S2 0.91317 0.33302 0.49485 1.00000 0.01888
S3 0.50920 0.40216 0.09714 1.00000 0.02103
S4 0.35472 0.23903 0.83895 1.00000 0.01901
S5 0.50399 0.59671 0.35065 1.00000 0.02105
S6 0.92091 0.33510 0.97299 1.00000 0.01878
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019975
