#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9010571.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_9010571
loop_
_publ_author_name
'Petricek, V.'
'Makovicky, E.'
_publ_section_title
;
 Interpretation of selected structures of the bismuthinite - aikinite series as
 commensurately modulated structures
 Locality: synthetic
 Sample: oversubstituted gladite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              189
_journal_page_last               206
_journal_volume                  44
_journal_year                    2006
_chemical_formula_sum            'Bi1.602 Cu0.388 Pb0.398 S3'
_chemical_name_mineral           Gladite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.0100
_cell_length_b                   11.1963
_cell_length_c                   11.502
_cell_volume                     516.407
_[local]_cod_data_source_file    05608.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Cu.388 Pb.398 Bi1.602 S3'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+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
Cu1 0.25000 0.71410 0.72060 0.25000 0.04260
Cu2 0.25000 0.70570 0.73240 0.13800 0.04000
PbM2 0.25000 0.52284 0.33716 0.39750 0.04163
BiM2 0.25000 0.52284 0.33716 0.60250 0.04163
BiM1 0.25000 0.17793 0.51838 1.00000 0.03650
S1 0.25000 -0.05630 0.37820 1.00000 0.03300
S2 0.25000 0.63170 0.54730 1.00000 0.03440
S3 0.25000 0.30520 0.71580 1.00000 0.03240
_cod_database_code 9010571