#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9010921.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_9010921
loop_
_publ_author_name
'Olsen, L. A.'
'Balic-Zunic T'
'Makovicky, E.'
'Ullrich, A.'
'Miletich, R.'
_publ_section_title
;
 Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
 high-pressure crystal chemistry
 Locality: synthetic
 Sample: P = 4.15 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              467
_journal_page_last               475
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Bi2 Pb S4'
_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                   11.4902
_cell_length_b                   14.2045
_cell_length_c                   3.9895
_cell_volume                     651.136
_diffrn_ambient_pressure         4.15e+06
_exptl_crystal_density_diffrn    7.686
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_8634'
_cod_database_code               9010921
loop_
_symmetry_equiv_pos_as_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_U_iso_or_equiv
Bi1 0.06375 0.39127 0.25000 0.01390
Bi2 0.10865 0.90718 0.25000 0.01580
Pb 0.25660 0.65200 0.25000 0.01890
S1 0.33070 0.01780 0.25000 0.01300
S2 0.25710 0.29740 0.25000 0.01800
S3 0.05270 0.09580 0.25000 0.01700
S4 0.01860 0.71260 0.25000 0.01000