#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/42/9004243.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_9004243
loop_
_publ_author_name
'Makovicky, E.'
'Mumme, W. G.'
'Hoskins, B. F.'
_publ_section_title
;
 The crystal structure of Ag-Bi-bearing heyrovskyite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              553
_journal_page_last               559
_journal_volume                  29
_journal_year                    1991
_chemical_compound_source        'La Roche Balue, west of Nantes, France'
_chemical_formula_sum            'Ag1.31 Bi3.32 Pb3.37 S9'
_chemical_name_mineral           Heyrovskyite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.11
_cell_length_b                   13.60
_cell_length_c                   30.485
_cell_formula_units_Z            4
_cell_volume                     1703.990
_database_code_amcsd             0005269
_exptl_crystal_density_diffrn    7.102
_cod_original_formula_sum        'Pb3.37 Bi3.32 Ag1.31 S9'
_cod_database_code               9004243
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
PbMe1 0.00000 0.40280 0.25000 1.00000
PbMe2 0.00000 0.50000 0.00000 0.79000
BiMe2 0.00000 0.50000 0.00000 0.21000
PbMe3 0.00000 0.22840 0.05990 0.79000
BiMe3 0.00000 0.22840 0.05990 0.21000
AgMe4 0.50000 0.17290 0.17780 0.65500
BiMe4 0.50000 0.17290 0.17780 0.34500
BiMe5 0.50000 0.45440 0.12170 1.00000
S1 0.00000 0.04330 0.19500 1.00000
S2 0.50000 0.08880 0.08530 1.00000
S3 0.50000 0.25670 0.25000 1.00000
S4 0.00000 0.32730 0.15010 1.00000
S5 0.50000 0.35900 0.02510 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005269
