#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/91/1529192.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_1529192
loop_
_publ_author_name
'le Berre, F.'
'Crosnier-Lopez, M.P.'
'Fourquet, J.L.'
_publ_section_title
;
 Cationic ordering in the new layerd perovskite Ba Sr Ta2 O7
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              53
_journal_page_last               59
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Ba O7 Sr Ta2'
_chemical_name_systematic        'Ba Sr (Ta2 O7)'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.99372
_cell_length_b                   7.8428
_cell_length_c                   20.1609
_cell_volume                     631.479
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            leBerre_SSSCFJ_2004_83.cif
_cod_data_source_block           Ba1O7Sr1Ta2
_cod_original_cell_volume        631.4787
_cod_original_formula_sum        'Ba1 O7 Sr1 Ta2'
_cod_database_code               1529192
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,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
O1 O-2 0 0.747 0.4077 1 0.0
Ba1 Ba+2 0 0.5 0.26351 1 0.0
O3 O-2 0.5 0 0.6176 1 0.0
Sr1 Sr+2 0.5 0.5 0 1 0.0
O4 O-2 0 0.718 0 1 0.0
O2 O-2 0 0 0.086 1 0.0
O5 O-2 0 0.206 0.1933 1 0.0
Ta1 Ta+5 0 0.2479 0.10396 1 0.0
Sr2 Sr+2 0.5 0 0 1 0.0
