data_global
_chemical_name_mineral 'Bixbyite-(Mn)'
loop_
_publ_author_name
'Yamanaka T'
'Nagai T'
'Okada T'
'Fukuda T'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 220 
_journal_year 2005
_journal_page_first 938
_journal_page_last 945
_publ_section_title
;
 Structure change of Mn2O3 under high pressure and pressure-induced transition
 Note: P = 9.64 GPa
;
_database_code_amcsd 0021103
_chemical_compound_source 'Mt Thomas, Utah, USA'
_chemical_formula_sum '(Mn1.097 Fe.807 Ti.035 Al.061) O3'
_cell_length_a 9.262
_cell_length_b 9.262
_cell_length_c 9.262
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 794.537
_exptl_crystal_density_diffrn      5.238
_symmetry_space_group_name_H-M 'I a 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+z,x,1/2-y'
  '+z,1/2+x,-y'
  '1/2+z,-x,y'
  '+z,1/2-x,1/2+y'
  '-z,x,1/2+y'
  '1/2-z,1/2+x,+y'
  '-z,-x,-y'
  '1/2-z,1/2-x,1/2-y'
  '1/2+y,1/2-z,-x'
  '+y,-z,1/2-x'
  '-y,1/2-z,x'
  '1/2-y,-z,1/2+x'
  '1/2-y,z,-x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,1/2+y,-z'
  '1/2+x,+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2-x,+y'
  '1/2-z,x,-y'
  '-z,1/2+x,1/2-y'
  'z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  '1/2-y,1/2+z,x'
  '-y,+z,1/2+x'
  'y,1/2+z,-x'
  '1/2+y,+z,1/2-x'
  '1/2+y,-z,x'
  '+y,1/2-z,1/2+x'
  '-y,-z,-x'
  '1/2-y,1/2-z,1/2-x'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,-z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mn1   0.00000   0.00000   0.00000   0.54850   0.00937
Fe1   0.00000   0.00000   0.00000   0.40350   0.00937
Ti1   0.00000   0.00000   0.00000   0.01750   0.00937
Al1   0.00000   0.00000   0.00000   0.03050   0.00937
Mn1   0.28360   0.00000   0.25000   0.54850   0.00735
Fe1   0.28360   0.00000   0.25000   0.40350   0.00735
Ti1   0.28360   0.00000   0.25000   0.01750   0.00735
Al1   0.28360   0.00000   0.25000   0.03050   0.00735
O   0.13640   0.13930   0.90980   1.00000   0.01406