#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/49/9004975.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_9004975
loop_
_publ_author_name
'Pinto, D.'
'Balic-Zunic T'
'Garavelli, A.'
'Makovicky, E.'
'Vurro, F.'
_publ_section_title
;
 Comparative crystal-structure study of Ag-free lillianite
 and galenobismutite from Vulcano, Aeolian Islands, Italy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              159
_journal_page_last               175
_journal_paper_doi               10.2113/gscanmin.44.1.159
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum            'Bi2 Pb S3.87 Se0.13'
_chemical_name_mineral           Galenobismutite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.815
_cell_length_b                   14.593
_cell_length_c                   4.0814
_cell_formula_units_Z            4
_cell_volume                     703.700
_database_code_amcsd             0006073
_exptl_crystal_density_diffrn    7.169
_cod_original_formula_sum        'Pb Bi2 (S3.87 Se.13)'
_cod_database_code               9004975
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,1/2-y,z
1/2-x,1/2+y,-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
Pb3 0.24696 0.65307 0.25000 0.75000 0.02610
Bi3 0.24696 0.65307 0.25000 0.25000 0.02610
Bi1 0.06791 0.39037 0.25000 1.00000 0.01670
Bi2 0.10151 0.90529 0.25000 0.75000 0.02040
Pb2 0.10151 0.90529 0.25000 0.25000 0.02040
S1 0.33520 0.01520 0.25000 0.95000 0.01900
Se1 0.33520 0.01520 0.25000 0.05000 0.01900
S2 0.25960 0.29660 0.25000 0.98000 0.01400
Se2 0.25960 0.29660 0.25000 0.02000 0.01400
S3 0.05600 0.09310 0.25000 0.97000 0.01700
Se3 0.05600 0.09310 0.25000 0.03000 0.01700
S4 0.01850 0.71250 0.25000 0.97000 0.01500
Se4 0.01850 0.71250 0.25000 0.03000 0.01500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006073
