#------------------------------------------------------------------------------
#$Date: 2014-03-28 18:33:16 +0200 (Fri, 28 Mar 2014) $
#$Revision: 108194 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/41/1514106.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_1514106
_publ_author_name                'Fert, A.'
_publ_section_title
;
 Structure de quelques oxydes de terres rares
;
_journal_page_first              267
_journal_page_last               270
_journal_volume                  85
_journal_year                    1962
_chemical_formula_structural     'Mn2 O3'
_chemical_formula_sum            'Mn2 O3'
_chemical_name_mineral           Bixbyite
_chemical_name_systematic        'Manganese(III) 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'
_audit_creation_date             2000/07/15
_audit_update_record             2012/08/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            16
_cell_length_a                   9.42
_cell_length_b                   9.42
_cell_length_c                   9.42
_cell_volume                     835.897
_citation_journal_id_ASTM
;primary 
Bulletin de la Societe Francaise de Mineralogie et de 
Cristallographie (72,1949-100,1977) 1962 85 267 270 BUFCAE 2 Golden Book of Phase Transitions, Wroclaw 2002 1 1 123 GBOPT5
;
_refine_ls_R_factor_all          0.035
_[local]_cod_data_source_file    'data_Mn2O3melanie043464.cif'
_[local]_cod_data_source_block
/var/www/cod/tmp/uploads/1396024372.26-D290F29E9218B844.cif
_cod_original_cell_volume        835.9
_cod_database_code               1514106
loop_
_journal_name_full

'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)'
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
Mn1 Mn3+ 8 b 0.25 0.25 0.25 1. 0 0.25
Mn2 Mn3+ 24 d -.0347(8) 0 0.25 1. 0 0.21
O1 O2- 48 e 0.378(1) 0.167(1) 0.379(1) 1. 0 0.5
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn3+ 3
O2- -2