#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/47/1524715.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_1524715
loop_
_publ_author_name
'Kocak, M.'
'Platte, C.'
'Troemel, M.'
_publ_section_title
;
 Ueber verschiedene Formen von Ba Te O3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              93
_journal_page_last               97
_journal_volume                  453
_journal_year                    1979
_chemical_formula_sum            'Ba O3 Te'
_chemical_name_systematic        'Ba Te O3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   14.784
_cell_length_b                   6.129
_cell_length_c                   12.35
_cell_volume                     1119.048
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kocak_ZAACAB_1979_561.cif
_cod_data_source_block           Ba1O3Te1
_cod_original_formula_sum        'Ba1 O3 Te1'
_cod_database_code               1524715
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Ba2 Ba+2 0.693 0.25 0.6413 1 0.0
Te1 Te+4 0.3143 0.25 0.1493 1 0.0
O2 O-2 0.844 0.25 0.495 1 0.0
O4 O-2 0.382 0.48 0.21 1 0.0
Te3 Te+4 0.6619 0.25 0.113 1 0.0
O3 O-2 0.543 0.25 0.074 1 0.0
O1 O-2 0.978 0.25 0.844 1 0.0
Ba3 Ba+2 0.487 0.25 0.8733 1 0.0
O5 O-2 0.118 0.52 0.003 1 0.0
Ba1 Ba+2 0.0056 0.25 0.1389 1 0.0
O6 O-2 0.654 0.477 0.211 1 0.0
Te2 Te+4 0.8608 0.25 0.9029 1 0.0
