The material structure described by Mn(Fe)2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with ten equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with five equivalent Mn(1)O6 octahedra, and edges with seven equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(1) and four equivalent Fe(1) atoms to form a mixture of edge and corner-sharing OMn2Fe4 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Mn(1) and four equivalent Fe(1) atoms to form a mixture of edge and corner-sharing OMn2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnFe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.477
_cell_length_b   5.477
_cell_length_c   5.477
_cell_angle_alpha   145.899
_cell_angle_beta   134.030
_cell_angle_gamma   58.460
_symmetry_Int_Tables_number   1
_cell_volume   65.654
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.666  0.666  0.000  1.0
  Fe  Fe2  1  0.334  0.334  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.169  0.669  0.500  1.0
  O  O5  1  0.831  0.331  0.500  1.0
[/CIF]
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The material structure described by Mn(Fe)2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with ten equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with five equivalent Mn(1)O6 octahedra, and edges with seven equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(1) and four equivalent Fe(1) atoms to form a mixture of edge and corner-sharing OMn2Fe4 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Mn(1) and four equivalent Fe(1) atoms to form a mixture of edge and corner-sharing OMn2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnFe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.477
_cell_length_b   5.477
_cell_length_c   5.477
_cell_angle_alpha   145.899
_cell_angle_beta   134.030
_cell_angle_gamma   58.460
_symmetry_Int_Tables_number   1
_cell_volume   65.654
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.666  0.666  0.000  1.0
  Fe  Fe2  1  0.334  0.334  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.169  0.669  0.500  1.0
  O  O5  1  0.831  0.331  0.500  1.0
[/CIF]
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