data_global
_amcsd_formula_title 'Mn2O3'
loop_
_publ_author_name
'Geller S'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 27 
_journal_year 1971
_journal_page_first 821
_journal_page_last 828
_publ_section_title
;
 Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3
 and relation to magnetic ordering
;
_database_code_amcsd 0009390
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mn2 O3'
_cell_length_a 9.4157
_cell_length_b 9.4233
_cell_length_c 9.4047
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 834.450
_exptl_crystal_density_diffrn      5.027
_symmetry_space_group_name_H-M 'P c a b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,y,1/2+z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1   0.00000   0.00000   0.00000
Mn2   0.00000   0.00000   0.50000
Mn3   0.28479   0.25253  -0.00590
Mn4   0.00462   0.28507   0.24564
Mn5   0.25301   0.00130   0.28533
O6   0.13299  -0.08466   0.15030
O7   0.14435   0.12989  -0.08507
O8  -0.08038   0.14693   0.12412
O9  -0.37447   0.41757  -0.35569
O10  -0.35081  -0.37238   0.41947
O11   0.41306  -0.35285  -0.36571
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mn1 0.00431 0.00441 0.00403 0.00018 0.00099 0.00018
Mn2 0.00570 0.00571 0.00448 -0.00054 0.00054 0.00040
Mn3 0.00602 0.00702 0.00923 -0.00022 0.00085 -0.00269
Mn4 0.00880 0.00652 0.00703 -0.00031 -0.00296 0.00009
Mn5 0.00723 0.01080 0.00488 -0.00333 -0.00018 0.00000
O6 0.00813 0.01129 0.00583 -0.00211 -0.00130 -0.00242
O7 0.00638 0.01125 0.00905 -0.00090 -0.00175 -0.00220
O8 0.00889 0.00576 0.00883 -0.00004 -0.00256 -0.00148
O9 0.00808 0.01062 0.00327 -0.00373 -0.00184 -0.00085
O10 0.00579 0.01066 0.00820 0.00108 0.00031 -0.00444
O11 0.00665 0.00585 0.01116 -0.00031 -0.00278 0.00036