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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004677.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_9004677
_chemical_name 'Bismutite'
loop_
_publ_author_name
'Grice J D'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 40
_journal_year 2002
_journal_page_first 693
_journal_page_last 698
_publ_section_title
;
 A solution to the crystal structures of bismutite and beyerite
;
_chemical_formula_sum 'Bi2 C O5'
_cell_length_a 3.865
_cell_length_b 3.862
_cell_length_c 13.675
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 204.122
_symmetry_space_group_name_H-M 'I m m 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Bi1   0.00000   0.00000   0.00000   0.01640
Bi2   0.50000   0.50000   0.18433   0.01710
C   0.00000   0.00000   0.33800   0.01200
O1   0.00000   0.50000   0.10400   0.01900
O2   0.50000   0.00000   0.10200   0.01400
O3   0.00000   0.28600   0.30500   0.03800
O4   0.00000   0.00000   0.44300   0.02700