#------------------------------------------------------------------------------
#$Date: 2016-10-27 00:20:19 +0200 (jue 27 de oct de 2016) $
#$Revision: 187598 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/43/1544361.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_1544361
loop_
_publ_author_name
'Zhou, Q.'
'Kennedy, B.J.'
'Avdeev, M.'
_publ_section_title
;
 Crystal structure and phase transitions in Sr2InTaO6 sample: 750 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              603
_journal_page_last               610
_journal_volume                  40
_journal_year                    2013
_chemical_formula_sum            'In O6 Sr2 Ta'
_chemical_name_common            'Sr2InTaO6 @750C'
_space_group_IT_number           87
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.7783(2)
_cell_length_b                   5.7783(2)
_cell_length_c                   8.1929(6)
_cell_volume                     273.55(2)
_cod_data_source_file            Sr2InTaO6-750C.cif
_cod_data_source_block           Sr2InTaO6_750C
_cod_original_formula_sum        'Sr2 In Ta O6'
_cod_database_code               1544361
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y, z'
'x, y, -z'
'-y, x, z'
'y, -x, -z'
'y, -x, z'
'-y, x, -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'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, -z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Sr 1.0 0.000000 0.500000 0.250000 Biso 2.760000 Sr
In 1.0 0.000000 0.000000 0.000000 Biso 0.870000 In
Ta 1.0 0.000000 0.000000 0.500000 Biso 0.870000 Ta
O1 1.0 0.000000 0.000000 0.2641(11) Biso 3.460000 O
O2 1.0 0.2229(13) 0.280(3) 0.000000 Biso 3.350000 O
