#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/17/1521722.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_1521722
loop_
_publ_author_name
'Park, J.-H.'
'Woodward, P.M.'
_publ_section_title
;
 Synthesis, structure and optical properties of two new perovskites:Ba2
 Bi2/3 Te O6 and Ba3 Bi2 Te O9
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              153
_journal_page_last               166
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Ba3 Bi2 O9 Te'
_chemical_name_systematic        'Ba3 (Bi2 Te O9)'
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.18313
_cell_length_b                   6.18313
_cell_length_c                   14.8645
_cell_volume                     492.150
_citation_journal_id_ASTM        IJIMCR
_cod_data_source_file            Park_IJIMCR_2000_1684.cif
_cod_data_source_block           Ba3Bi2O9Te1
_cod_original_cell_volume        492.1502
_cod_original_formula_sum        'Ba3 Bi2 O9 Te1'
_cod_database_code               1521722
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,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
Bi1 Bi+3 0.3333 0.6667 0.8314 1 0.0
Ba2 Ba+2 0 0 0.25 1 0.0
Ba1 Ba+2 0.3333 0.6667 0.081 1 0.0
Te1 Te+6 0 0 0.5 1 0.0
O2 O-2 0.7118 -0.0866 0.926 1 0.0
O1 O-2 0.5457 0 0.25 1 0.0
