#------------------------------------------------------------------------------
#$Date: 2015-10-10 05:02:48 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164364 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/65/1536596.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_1536596
loop_
_publ_author_name
'Pitt, M.G.'
'Fray, D.J.'
_publ_section_title
;
 Preparation and physical properties of indium beta-alumina single
 crystals
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              227
_journal_page_last               236
_journal_volume                  43
_journal_year                    1982
_chemical_formula_sum            'Al22 In2.42 O34.8'
_chemical_name_systematic        'In2.42 Al22 O34.8'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.599
_cell_length_b                   5.599
_cell_length_c                   22.90099
_cell_volume                     621.736
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Pitt_JSSCBI_1982_436.cif
_cod_data_source_block           Al22In2.42O34.8
_cod_original_cell_volume        621.7357
_cod_database_code               1536596
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
Al2 Al+3 0.3333 0.6667 0.0245 1 0.0
In2 In+1 0.6949 0.3898 0.25 0.109 0.0
Al4 Al+3 0 0 0 1 0.0
O5 O-2 0.3333 0.6667 0.25 1 0.0
O2 O-2 0.5022 0.0044 0.1448 1 0.0
O1 O-2 0.1572 0.3144 0.0491 1 0.0
O4 O-2 0 0 0.1393 1 0.0
In1 In+1 0.6667 0.3333 0.25 0.588 0.0
Al3 Al+3 0.3333 0.6667 0.175 1 0.0
In4 In+1 0.9324 0.8648 0.25 0.058 0.0
O3 O-2 0.6667 0.3333 0.0546 1 0.0
Al1 Al+3 0.8321 0.6642 0.1046 1 0.0
In3 In+1 0 0 0.25 0.145 0.0
