#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004832.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_9004832
_chemical_name 'Hodrushite'
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: Swartberg, South Africa
;
_chemical_formula_sum 'Bi5.875 Cu4.25 S11'
_cell_length_a 17.527
_cell_length_b 3.901
_cell_length_c 27.120
_cell_angle_alpha 90
_cell_angle_beta 92.343
_cell_angle_gamma 90
_cell_volume 1852.721
_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
BiME1   0.00000   0.50000   0.00000   1.00000   0.01760
BiME2   0.00000   0.00000   0.50000   0.75000   0.01910
Cu5c   0.02660   0.00000   0.45390   0.25000   0.01910
Bi1   0.37068   0.50000   0.10071   1.00000   0.01670
Bi2   0.12877   0.50000   0.15199   1.00000   0.01730
Bi3   0.16960   0.00000   0.29461   1.00000   0.01570
Bi4   0.44038   0.50000   0.34288   1.00000   0.01850
Bi5   0.31627   0.00000   0.44844   1.00000   0.02040
Cu1A   0.21040   0.00000   0.02507   0.41000   0.02340
Cu1B   0.19030   0.00000   0.02828   0.59000   0.02340
Cu2   0.30355   0.00000   0.21016   1.00000   0.03430
Cu3   0.49043   0.00000   0.23403   1.00000   0.02320
Cu4   0.13079   0.50000   0.42145   1.00000   0.03870
S1   0.34188   0.00000   0.01111   1.00000   0.01520
S2   0.01147   0.00000   0.07500   1.00000   0.01480
S3   0.20945   0.00000   0.11085   1.00000   0.01470
S4   0.40824   0.00000   0.16270   1.00000   0.01330
S5   0.23393   0.50000   0.22249   1.00000   0.01310
S6   0.06053   0.00000   0.22787   1.00000   0.01530
S7   0.38830   0.00000   0.28623   1.00000   0.01540
S8   0.09441   0.50000   0.34133   1.00000   0.01390
S9   0.29927   0.50000   0.37966   1.00000   0.01520
S10   0.46382   0.00000   0.43090   1.00000   0.01640
S11   0.15078   0.00000   0.46710   1.00000   0.01690