#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/03/1010314.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
loop_
_publ_author_name
'Sillen, L G'
_publ_section_title              'X-Ray Studies on Bismuth Trioxide'
_journal_coden_ASTM              ARKGAJ
_journal_issue                   18
_journal_name_full               'Arkiv foer Kemi, Mineralogi och Geologi, A'
_journal_page_first              1
_journal_page_last               15
_journal_volume                  12
_journal_year                    1938
_chemical_formula_structural     'Si2 Bi24 O40'
_chemical_formula_sum            'Bi24 O40 Si2'
_chemical_name_systematic        'Disilicon 24-bismuth 40-oxide'
_space_group_IT_number           197
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.08
_cell_length_b                   10.08
_cell_length_c                   10.08
_cell_volume                     1024.2
_cod_database_code               1010314
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3.000
O2- -2.000
Si4+ 4.000
