#------------------------------------------------------------------------------
#$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $
#$Revision: 903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9010570.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_9010570
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
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              189
_journal_page_last               206
_journal_volume                  44
_journal_year                    2006
_chemical_formula_sum            'Bi1.662 Cu0.33 Pb0.338 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                   4.0044
_cell_length_b                   11.198
_cell_length_c                   11.4795
_cell_volume                     514.755
_[local]_cod_data_source_file    05607.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Cu.33 Pb.338 Bi1.662 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
Cu 0.25000 0.71370 0.72060 0.33000 0.04990
PbM2 0.25000 0.52394 0.33747 0.33800 0.04660
BiM2 0.25000 0.52394 0.33747 0.66200 0.04660
BiM1 0.25000 0.17747 0.51813 1.00000 0.04320
S1 0.25000 -0.05630 0.37840 1.00000 0.04130
S2 0.25000 0.63100 0.54710 1.00000 0.04100
S3 0.25000 0.30490 0.71590 1.00000 0.03910