#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010004.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_1010004
_chemical_name_systematic          'Bismuth oxide - $-alpha'
_chemical_formula_structural       'Bi2 O3'
_chemical_formula_sum              'Bi2 O3'
_publ_section_title
;
Die Kristallstruktur des monoklinen $-alpha-Bi~2~ O~3~
;
loop_
_publ_author_name                  'Sillen, L G'
_journal_name_full                 'Naturwissenschaften'
_journal_coden_ASTM                NATWAY
_journal_volume                    28
_journal_year                      1940
_journal_page_first                206
_journal_page_last                 207
_cell_length_a                     5.83
_cell_length_b                     8.14
_cell_length_c                     7.48
_cell_angle_alpha                  90
_cell_angle_beta                   67.07
_cell_angle_gamma                  90
_cell_volume                       326.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  O2-   -2.000
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+   4 e 0.520(5) 0.1875(5) 0.635(5) 1.  0 d
  Bi2   Bi3+   4 e 0.040(5) 0.043(5) 0.225(5) 1.  0 d
  O1    O2-    4 e 0.615(5) 0.278(5) 0.316(5) 1.  0 d
  O2    O2-    4 e 0.631(5) 0.027(5) 0.113(5) 1.  0 d
  O3    O2-    4 e 0.024(5) 0.084(5) 0.460(5) 1.  0 d