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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/9/00/49/9004974.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_9004974
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            'Bi1.962 Pb2.962 S5.76 Se0.24'
_chemical_name_mineral           Lillianite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.567
_cell_length_b                   20.655
_cell_length_c                   4.1216
_cell_formula_units_Z            4
_cell_volume                     1154.981
_database_code_amcsd             0006072
_exptl_crystal_density_diffrn    7.059
_cod_original_formula_sum        'Pb2.962 Bi1.962 S5.76 Se.24'
_cod_database_code               9004974
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,y,1/2+z
-x,1/2+y,z
1/2-x,1/2+y,1/2+z
x,1/2-y,-z
1/2+x,1/2-y,1/2-z
x,y,-z
1/2+x,y,1/2-z
-x,-y,z
1/2-x,-y,1/2+z
x,1/2-y,z
1/2+x,1/2-y,1/2+z
-x,1/2+y,-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,-y,1/2-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 0.09079 0.13373 0.50000 0.49000 0.02070
Bi1 0.09079 0.13373 0.50000 0.49000 0.02070
Pb2 0.36313 0.04918 0.50000 0.49100 0.02000
Bi2 0.36313 0.04918 0.50000 0.49100 0.02000
Pb3 0.32578 0.25000 0.00000 1.00000 0.04470
S1 0.23680 0.09530 0.00000 0.97000 0.02700
Se1 0.23680 0.09530 0.00000 0.03000 0.02700
S2 0.00000 0.00000 0.50000 0.96000 0.02200
Se2 0.00000 0.00000 0.50000 0.04000 0.02200
S3 0.18360 0.25000 0.50000 1.00000 0.02090
S4 0.45500 0.16540 0.50000 0.93000 0.02200
Se4 0.45500 0.16540 0.50000 0.07000 0.02200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006072
