#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010314.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_1010314
_chemical_name_systematic          'Disilicon 24-bismuth 40-oxide'
_chemical_formula_structural       'Si2 Bi24 O40'
_chemical_formula_sum              'Bi24 O40 Si2'
_publ_section_title                'X-Ray Studies on Bismuth Trioxide'
_publ_author_name                  'Sillen, L G'
_journal_name_full                 'Arkiv foer Kemi, Mineralogi och Geologi, A'
_journal_coden_ASTM                ARKGAJ
_journal_volume                    12
_journal_year                      1938
_journal_page_first                1
_journal_page_last                 15
_journal_issue                     18
_cell_length_a                     10.08
_cell_length_b                     10.08
_cell_length_c                     10.08
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1024.2
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'I 2 3'
_symmetry_Int_Tables_number        197
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
  '1/2+x,1/2+y,1/2+z'
  '1/2+y,1/2+z,1/2+x'
  '1/2+z,1/2+x,1/2+y'
  '1/2+x,1/2-y,1/2-z'
  '1/2+y,1/2-z,1/2-x'
  '1/2+z,1/2-x,1/2-y'
  '1/2-x,1/2+y,1/2-z'
  '1/2-y,1/2+z,1/2-x'
  '1/2-z,1/2+x,1/2-y'
  '1/2-x,1/2-y,1/2+z'
  '1/2-y,1/2-z,1/2+x'
  '1/2-z,1/2-x,1/2+y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  O2-   -2.000
  Si4+   4.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Bi1   Bi3+  24 f 0.32 0.18 0.02 1.  0 d
  O1    O2-   24 f 0.37 -0.02 0.16 1.  0 d
  O2    O2-    8 c 0.23 0.23 0.23 1.  0 d
  O3    O2-    8 c -0.11 -0.11 -0.11 1.  0 d
  Si1   Si4+   2 a 0. 0. 0. 1.  0 d