#------------------------------------------------------------------------------
#$Date: 2013-07-23 16:55:20 +0300 (Tue, 23 Jul 2013) $
#$Revision: 87337 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/21/1512123.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_1512123
loop_
_publ_author_name
'Natheer, B. Mahmood'
'Emad, K. Al-Shakarchi'
'Brahim, Elouadi'
_publ_section_title
;
 Three Techniques Used to Produce BaTiO3 Fine Powder
;
_journal_name_full               '  Journal of Modern Physics '
_journal_page_first              1420
_journal_page_last               1428
_journal_volume                  2
_journal_year                    211
_chemical_formula_analytical     Ba(0.5)Sr(0.5)TiO3
_chemical_formula_structural     'Ba0.5 Sr0.5 Ti O3'
_chemical_formula_sum            'Ba0.5 O3 Sr0.5 Ti'
_chemical_formula_weight_meas    208.340
_chemical_name_structure_type
;
Perovskite
;
_chemical_name_systematic
;
Barium Strontium Titanate
;
_space_group_IT_number           221
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_audit_creation_date             2013-07-23
_audit_creation_method           ' Natheer '
_audit_update_record             2013-07-23
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            1
_cell_length_a                   3.9560
_cell_length_b                   3.9560
_cell_length_c                   3.9560
_cell_volume                     61.911
_exptl_crystal_density_meas      5.590
_[local]_cod_data_source_file    BST5.cif
_[local]_cod_data_source_block   BST5
_[local]_cod_cif_authors_sg_Hall -P_4_2_3
_[local]_cod_chemical_formula_sum_orig 'Ba0.5 Sr0.5 O3 Ti '
_cod_depositor_comments
'the applied changes to the file is to correct the chemical formula'
_cod_original_cell_volume        61.9
_cod_database_code               1512123
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 x,-z,y
6 x,-y,-z
7 x,z,-y
8 z,y,-x
9 -x,y,-z
10 -z,y,x
11 z,x,y
12 y,z,x
13 -y,-z,x
14 z,-x,-y
15 -y,z,-x
16 -z,-x,y
17 -z,x,-y
18 y,-z,-x
19 y,x,-z
20 -y,-x,-z
21 -x,z,y
22 -x,-z,-y
23 z,-y,x
24 -z,-y,-x
25 -x,-y,-z
26 y,-x,-z
27 x,y,-z
28 -y,x,-z
29 -x,z,-y
30 -x,y,z
31 -x,-z,y
32 -z,-y,x
33 x,-y,z
34 z,-y,-x
35 -z,-x,-y
36 -y,-z,-x
37 y,z,-x
38 -z,x,y
39 y,-z,x
40 z,x,-y
41 z,-x,y
42 -y,z,x
43 -y,-x,z
44 y,x,z
45 x,-z,-y
46 x,z,y
47 -z,y,-x
48 z,y,x
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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
ba Ba 0.5000 0.5000 0.5000 1.000 1 b d
sr Sr 0.5000 0.5000 0.5000 1.000 1 b d
ti Ti 0.0000 0.0000 0.0000 1.000 1 a d
o O 0.5000 0.0000 0.0000 1.000 3 d d
loop_
_atom_type_symbol
_atom_type_radius_bond
Ba 1.200
Sr 1.200
Ti 1.200
O 1.200