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 = 4.7 GPa
;
_database_code_amcsd 0021099
_chemical_compound_source 'Mt Thomas, Utah, USA'
_chemical_formula_sum '(Mn1.097 Fe.807 Ti.035 Al.061) O3'
_cell_length_a 9.333
_cell_length_b 9.333
_cell_length_c 9.333
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 812.950
_exptl_crystal_density_diffrn      5.120
_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   0.00760
Fe1   0.00000   0.00000   0.00000   0.40350   0.00760
Ti1   0.00000   0.00000   0.00000   0.01750   0.00760
Al1   0.00000   0.00000   0.00000   0.03050   0.00760
Mn1   0.28470   0.00000   0.25000   0.54850   0.00595
Fe1   0.28470   0.00000   0.25000   0.40350   0.00595
Ti1   0.28470   0.00000   0.25000   0.01750   0.00595
Al1   0.28470   0.00000   0.25000   0.03050   0.00595
O   0.13610   0.13940   0.91100   1.00000   0.01900