#------------------------------------------------------------------------------
#$Date: 2021-09-07 03:56:30 +0300 (Tue, 07 Sep 2021) $
#$Revision: 268992 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/45/1564548.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_1564548
loop_
_publ_author_name
'Shpanchenko, R.V.'
'Abakumov, A.M.'
'Antipov, E.V.'
'Kovba, L.M.'
_publ_section_title
;
 Crystal structure of Ba5In2Al2ZrO13
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              185
_journal_page_last               188
_journal_volume                  206
_journal_year                    1994
_chemical_formula_sum            'Al2 Ba5 In2 O13 Zr'
_chemical_name_common            Ba5In2Al2ZrO13
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                120.000000
_cell_formula_units_Z            2
_cell_length_a                   5.8707(7)
_cell_length_b                   5.8707(7)
_cell_length_c                   24.445(3)
_cell_volume                     729.63(15)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Ba5In2Al2ZrO13.cif
_cod_data_source_block           Ba5In2Al2ZrO13
_cod_original_cell_volume        729.6(3)
_cod_original_formula_sum        'Ba5 In2 Al2 Zr O13'
_cod_database_code               1564548
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -y,x-y,z
4 y,-x+y,-z
5 -x+y,-x,z
6 x-y,x,-z
7 -x,-y,z+1/2
8 x,y,-z+1/2
9 y,-x+y,z+1/2
10 -y,x-y,-z+1/2
11 x-y,x,z+1/2
12 -x+y,-x,-z+1/2
13 y,x,-z
14 -y,-x,z
15 x-y,-y,-z
16 -x+y,y,z
17 -x,-x+y,-z
18 x,x-y,z
19 -y,-x,-z+1/2
20 y,x,z+1/2
21 -x+y,y,-z+1/2
22 x-y,-y,z+1/2
23 x,x-y,-z+1/2
24 -x,-x+y,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
Ba1 1.0 0.000000 0.000000 0.35650(10) Bani 1.00(2) Ba
Ba2 1.0 0.666667 0.333333 0.25 Bani 2.83(5) Ba
Ba3 1.0 0.666667 0.333333 0.54460(10) Bani 0.98(2) Ba
Zr1 1.0 0.000000 0.000000 0.000000 Bani 0.40(5) Zr
InAl1 0.85 0.666667 0.333333 0.39680(10) Bani 0.63(3) In
AlIn1 0.15 0.666667 0.333333 0.39680(10) Bani 0.63(3) Al
AlIn2 0.85 0.666667 0.333333 0.8150(4) Bani 1.5(1) Al
InAl2 0.15 0.666667 0.333333 0.8150(4) Bani 1.5(1) In
O1 1.0 0.503(3) 0.006(6) 0.6536(6) Bani 1.9(3) O
O2 1.0 0.167(3) 0.334(6) 0.5484(7) Bani 2.1(3) O
O3 0.333 0.295(5) 0.5900(10) 0.25 Biso 1(1) O
