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#$Date: 2017-09-12 13:24:00 +0300 (Tue, 12 Sep 2017) $
#$Revision: 200781 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/00/2310009.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310009
loop_
_publ_author_name
'Marezio, M.'
_publ_section_title
;
 Refinement of the crystal structure of In₂O₃ at two wavelengths
;
_journal_coden_ASTM              ACCRA9
_journal_issue                   6
_journal_name_full               'Acta Crystallographica'
_journal_page_first              723
_journal_page_last               728
_journal_paper_doi               10.1107/s0365110x66001749
_journal_volume                  66
_journal_year                    1966
_chemical_formula_structural     'In2 O3'
_chemical_formula_sum            'In2 O3'
_chemical_name_systematic        'Indium Oxide'
_space_group_IT_number           206
_symmetry_Int_Tables_number      206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            16
_cell_length_a                   10.117(1)
_cell_length_b                   10.117(1)
_cell_length_c                   10.117(1)
_cell_volume                     1035.51(18)
_cod_data_source_file            In2O3_Ia-3_DC235.cif
_cod_data_source_block           chateigner_1508504
_cod_original_cell_volume        1035.51
_cod_database_code               2310009
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-z, x, y+1/2'
2 'z, x+1/2, -y'
3 'z+1/2, -x, y'
4 '-z, -x, -y'
5 'y+1/2, -z, x'
6 '-y, z, x+1/2'
7 'y, z+1/2, -x'
8 '-y, -z, -x'
9 'x, y+1/2, -z'
10 'x+1/2, -y, z'
11 '-x, y, z+1/2'
12 '-x, -y, -z'
13 'z, -x, -y+1/2'
14 '-z, -x+1/2, y'
15 '-z+1/2, x, -y'
16 'z, x, y'
17 '-y+1/2, z, -x'
18 'y, -z, -x+1/2'
19 '-y, -z+1/2, x'
20 'y, z, x'
21 '-x, -y+1/2, z'
22 '-x+1/2, y, -z'
23 'x, -y, -z+1/2'
24 'x, y, z'
25 '-z+1/2, x+1/2, y'
26 'z+1/2, x, -y+1/2'
27 'z, -x+1/2, y+1/2'
28 '-z+1/2, -x+1/2, -y+1/2'
29 'y, -z+1/2, x+1/2'
30 '-y+1/2, z+1/2, x'
31 'y+1/2, z, -x+1/2'
32 '-y+1/2, -z+1/2, -x+1/2'
33 'x+1/2, y, -z+1/2'
34 'x, -y+1/2, z+1/2'
35 '-x+1/2, y+1/2, z'
36 '-x+1/2, -y+1/2, -z+1/2'
37 'z+1/2, -x+1/2, -y'
38 '-z+1/2, -x, y+1/2'
39 '-z, x+1/2, -y+1/2'
40 'z+1/2, x+1/2, y+1/2'
41 '-y, z+1/2, -x+1/2'
42 'y+1/2, -z+1/2, -x'
43 '-y+1/2, -z, x+1/2'
44 'y+1/2, z+1/2, x+1/2'
45 '-x+1/2, -y, z+1/2'
46 '-x, y+1/2, -z+1/2'
47 'x+1/2, -y+1/2, -z'
48 'x+1/2, y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
In1 In3+ 8 b 0.25 0.25 0.25 1. 0 0.46
In2 In3+ 24 d 0.4663(1) 0 0.25 1. 0 0.41
O1 O2- 48 e 0.3912(12) 0.1558(11) 0.3796(13) 1. 0 0.45
loop_
_atom_type_symbol
_atom_type_oxidation_number
In3+ 3
O2- -2
