data_global
_chemical_name_mineral 'Bixbyite-(Fe)'
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
 Sample: (Mn0.37Fe0.63)2O3
;
_database_code_amcsd 0009392
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Fe1.26 Mn.74) O3'
_cell_length_a 9.4126
_cell_length_b 9.4126
_cell_length_c 9.4126
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 833.928
_exptl_crystal_density_diffrn      5.066
_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
Fe1   0.00000   0.00000   0.00000   0.63000
Mn1   0.00000   0.00000   0.00000   0.37000
Fe2   0.28473   0.00000   0.25000   0.63000
Mn2   0.28473   0.00000   0.25000   0.37000
O   0.13527   0.13950  -0.08830   1.00000
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
Fe1 0.00570 0.00570 0.00570 0.00081 0.00081 0.00081
Mn1 0.00570 0.00570 0.00570 0.00081 0.00081 0.00081
Fe2 0.00772 0.00803 0.00718 0.00000 0.00000 -0.00162
Mn2 0.00772 0.00803 0.00718 0.00000 0.00000 -0.00162
O 0.00821 0.00557 0.01212 -0.00328 -0.00085 0.00224