#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/64/2106452.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106452
loop_
_publ_author_name
'Thornton, G.'
'Jacobson, A.J.'
_publ_section_title
;
 A neutron diffraction determination of the structures of Ba2 Sb(V)
 Bi(III) O6 and Ba2 Bi(V) Bi(III) O6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              351
_journal_page_last               354
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Ba2 Bi2 O6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.29
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.1736
_cell_length_b                   6.1237
_cell_length_c                   8.6507
_cell_volume                     327.038
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Thornton_ACBCAR_1978_1053.cif
_cod_data_source_block           Ba2Bi2O6
_cod_original_cell_volume        327.0379
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_database_code               2106452
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ba1 Ba+2 0.5085 0 0.2506 1 0.0
O1 O-2 0.0698 0 0.2602 1 0.0
Bi1 Bi+3 0 0 0 1 0.0
O2 O-2 0.2604 0.2541 -0.0376 1 0.0
Bi2 Bi+5 0 0 0.5 1 0.0
