#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004830.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9004830
_chemical_name 'Cuprobismutite'
loop_
_publ_author_name
'Topa D'
'Makovicky E'
'Balic-Zunic T'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 41
_journal_year 2003
_journal_page_first 1481
_journal_page_last 1501
_publ_section_title
;
 Crystal structures and crystal chemistry of members of the cuprobismutite
 homologous series of sulfosalts
 Locality: Felbertal Austria
;
_chemical_formula_sum 'Bi6.292 Ag.708 Cu4 S12'
_cell_length_a 17.590
_cell_length_b 3.9219
_cell_length_c 15.177
_cell_angle_alpha 90
_cell_angle_beta 100.710
_cell_angle_gamma 90
_cell_volume 1028.766
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Bi1   0.00000   0.50000   0.00000   0.29200   0.03040
Ag1   0.00000   0.50000   0.00000   0.70800   0.03040
Bi2   0.33456   0.50000   0.09272   1.00000   0.02930
Bi3   0.49537   0.00000   0.28002   1.00000   0.02930
Bi4   0.24520   0.50000   0.37071   1.00000   0.02700
Cu1   0.15528   0.00000   0.14082   1.00000   0.05620
Cu2   0.08802   0.00000   0.47966   1.00000   0.03990
S1   0.16381   0.50000   0.05920   1.00000   0.02940
S2   0.48973   0.50000   0.12471   1.00000   0.02750
S3   0.34252   0.00000   0.22009   1.00000   0.02550
S4   0.15341   0.00000   0.28959   1.00000   0.02530
S5   0.46745   0.50000   0.38695   1.00000   0.02770
S6   0.16142   0.50000   0.49378   1.00000   0.02650