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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106833.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_2106833
loop_
_publ_author_name
'Banks, E.'
'la Placa, S.J.'
'Kunnmann, W.'
'Corliss, L.M.'
'Hastings, J.M.'
_publ_section_title
;
 A note on the crystal and magnetic structure of Ba Tb O3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3429
_journal_page_last               3430
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Ba O3 Tb1.002'
_chemical_name_systematic        'Ba Tb1.002 O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                60.13
_cell_angle_beta                 60.13
_cell_angle_gamma                60.13
_cell_formula_units_Z            2
_cell_length_a                   6.05
_cell_length_b                   6.05
_cell_length_c                   6.05
_cell_volume                     157.046
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Banks_ACBCAR_1972_1746.cif
_cod_data_source_block           Ba1O3Tb1.002
_cod_original_cell_volume        157.0465
_cod_original_sg_symbol_Hall     '-R 3 2"c (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Ba1 O3 Tb1.002'
_cod_database_code               2106833
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y+1/2,-x+1/2,-z+1/2
-z+1/2,-y+1/2,-x+1/2
-x+1/2,-z+1/2,-y+1/2
-x,-y,-z
-z,-x,-y
-y,-z,-x
y-1/2,x-1/2,z-1/2
z-1/2,y-1/2,x-1/2
x-1/2,z-1/2,y-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
Tb1 Tb+4 0 0 0 1.002 0.0
O1 O-2 0.7073 -0.2073 0.25 1 0.0
Ba1 Ba+2 0.25 0.25 0.25 1 0.0
