#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/31/1533176.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_1533176
loop_
_publ_author_name
'Fu, W.T.'
'Visser, D.'
'Knight, K.S.'
'Ijdo, D.J.W.'
_publ_section_title
;
 Temperature-induced phase transitions in Ba Tb O3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1667
_journal_page_last               1671
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ba O3 Tb'
_chemical_name_systematic        'Ba (Tb O3)'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2c 2c'
_symmetry_space_group_name_H-M   'I b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.07141
_cell_length_b                   6.04407
_cell_length_c                   8.5256
_cell_volume                     312.856
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Fu_JSSCBI_2004_1696.cif
_cod_data_source_block           Ba1O3Tb1
_cod_original_cell_volume        312.8557
_cod_original_sg_symbol_Hall     '-I 2b 2 (z,x,y)'
_cod_original_formula_sum        'Ba1 O3 Tb1'
_cod_database_code               1533176
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z+1/2
-x,y,-z
-x,-y,z+1/2
-x,-y,-z
-x,y,z-1/2
x,-y,z
x,y,-z-1/2
x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1
-x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z+1/2
x+1/2,y+1/2,-z
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
O2 O-2 0.25 0.25 -0.0282 1 0.0
Ba1 Ba+2 0.5015 0 0.25 1 0.0
Tb1 Tb+4 0 0 0 1 0.0
O1 O-2 0.0525 0 0.25 1 0.0
