The material structure described by Mn(Fe)2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmmm space group. Mn(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with five equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4); two equivalent O(2); and three O(1,1) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with five equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Fe site, Fe(3) is bonded to two O(1,1); two equivalent O(3); and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedra are not tilted. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(1), one Fe(3), and three equivalent Fe(1) atoms to form OMn2Fe4 octahedra that share  a cornercorner with one O(4)Fe6 octahedra; corners with five O(1,1)Mn2Fe4 octahedra; edges with two equivalent O(4)Fe6 octahedra; edges with two equivalent O(1)Mn2Fe4 octahedra; edges with two equivalent O(3)Mn2Fe4 octahedra; and edges with six equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to three equivalent Mn(1), one Fe(2), and two equivalent Fe(1) atoms to form OMn3Fe3 octahedra that share  a cornercorner with one O(3)Mn2Fe4 octahedra; corners with five equivalent O(2)Mn3Fe3 octahedra; edges with two equivalent O(4)Fe6 octahedra; edges with two equivalent O(3)Mn2Fe4 octahedra; edges with two equivalent O(2)Mn3Fe3 octahedra; and edges with six O(1,1)Mn2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(1) is bonded to two equivalent Mn(1), one Fe(3), and three equivalent Fe(1) atoms to form OMn2Fe4 octahedra that share  a cornercorner with one O(4)Fe6 octahedra, corners with five equivalent O(1)Mn2Fe4 octahedra, edges with two equivalent O(4)Fe6 octahedra, edges with two equivalent O(1)Mn2Fe4 octahedra, edges with two equivalent O(3)Mn2Fe4 octahedra, and edges with six equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(3) is bonded to two equivalent Mn(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form OMn2Fe4 octahedra that share corners with two equivalent O(2)Mn3Fe3 octahedra; corners with four equivalent O(3)Mn2Fe4 octahedra; edges with four equivalent O(4)Fe6 octahedra; edges with four O(1,1)Mn2Fe4 octahedra; and edges with four equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(4) is bonded to two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form OFe6 octahedra that share corners with two equivalent O(1)Mn2Fe4 octahedra; corners with four equivalent O(4)Fe6 octahedra; edges with four O(1,1)Mn2Fe4 octahedra; edges with four equivalent O(3)Mn2Fe4 octahedra; and edges with four equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(1) is bonded to two equivalent Mn(1), one Fe(3), and three equivalent Fe(1) atoms to form OMn2Fe4 octahedra that share  a cornercorner with one O(4)Fe6 octahedra; corners with five O(1,1)Mn2Fe4 octahedra; edges with two equivalent O(4)Fe6 octahedra; edges with two equivalent O(1)Mn2Fe4 octahedra; edges with two equivalent O(3)Mn2Fe4 octahedra; and edges with six equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh O site, O(3) is bonded to two equivalent Mn(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form OMn2Fe4 octahedra that share corners with two equivalent O(2)Mn3Fe3 octahedra, corners with four equivalent O(3)Mn2Fe4 octahedra, edges with four equivalent O(4)Fe6 octahedra, edges with four equivalent O(1)Mn2Fe4 octahedra, and edges with four equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(4) is bonded to two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form OFe6 octahedra that share corners with two O(1,1)Mn2Fe4 octahedra; corners with four equivalent O(4)Fe6 octahedra; edges with four equivalent O(1)Mn2Fe4 octahedra; edges with four equivalent O(3)Mn2Fe4 octahedra; and edges with four equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnFe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.859
_cell_length_b   6.859
_cell_length_c   4.311
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.523
_symmetry_Int_Tables_number   1
_cell_volume   120.578
_cell_formula_units_Z   2
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  0.665  0.335  0.000  1.0
  Mn  Mn1  1  0.335  0.665  0.000  1.0
  Fe  Fe2  1  0.166  0.834  0.500  1.0
  Fe  Fe3  1  0.834  0.166  0.500  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.669  0.331  0.500  1.0
  O  O7  1  0.165  0.835  0.000  1.0
  O  O8  1  0.331  0.669  0.500  1.0
  O  O9  1  0.835  0.165  0.000  1.0
  O  O10  1  0.500  0.500  0.000  1.0
  O  O11  1  0.000  0.000  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 Cmmm space group. Mn(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with five equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4); two equivalent O(2); and three O(1,1) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with five equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Fe site, Fe(3) is bonded to two O(1,1); two equivalent O(3); and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedra are not tilted. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(1), one Fe(3), and three equivalent Fe(1) atoms to form OMn2Fe4 octahedra that share  a cornercorner with one O(4)Fe6 octahedra; corners with five O(1,1)Mn2Fe4 octahedra; edges with two equivalent O(4)Fe6 octahedra; edges with two equivalent O(1)Mn2Fe4 octahedra; edges with two equivalent O(3)Mn2Fe4 octahedra; and edges with six equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to three equivalent Mn(1), one Fe(2), and two equivalent Fe(1) atoms to form OMn3Fe3 octahedra that share  a cornercorner with one O(3)Mn2Fe4 octahedra; corners with five equivalent O(2)Mn3Fe3 octahedra; edges with two equivalent O(4)Fe6 octahedra; edges with two equivalent O(3)Mn2Fe4 octahedra; edges with two equivalent O(2)Mn3Fe3 octahedra; and edges with six O(1,1)Mn2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(1) is bonded to two equivalent Mn(1), one Fe(3), and three equivalent Fe(1) atoms to form OMn2Fe4 octahedra that share  a cornercorner with one O(4)Fe6 octahedra, corners with five equivalent O(1)Mn2Fe4 octahedra, edges with two equivalent O(4)Fe6 octahedra, edges with two equivalent O(1)Mn2Fe4 octahedra, edges with two equivalent O(3)Mn2Fe4 octahedra, and edges with six equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(3) is bonded to two equivalent Mn(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form OMn2Fe4 octahedra that share corners with two equivalent O(2)Mn3Fe3 octahedra; corners with four equivalent O(3)Mn2Fe4 octahedra; edges with four equivalent O(4)Fe6 octahedra; edges with four O(1,1)Mn2Fe4 octahedra; and edges with four equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(4) is bonded to two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form OFe6 octahedra that share corners with two equivalent O(1)Mn2Fe4 octahedra; corners with four equivalent O(4)Fe6 octahedra; edges with four O(1,1)Mn2Fe4 octahedra; edges with four equivalent O(3)Mn2Fe4 octahedra; and edges with four equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(1) is bonded to two equivalent Mn(1), one Fe(3), and three equivalent Fe(1) atoms to form OMn2Fe4 octahedra that share  a cornercorner with one O(4)Fe6 octahedra; corners with five O(1,1)Mn2Fe4 octahedra; edges with two equivalent O(4)Fe6 octahedra; edges with two equivalent O(1)Mn2Fe4 octahedra; edges with two equivalent O(3)Mn2Fe4 octahedra; and edges with six equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh O site, O(3) is bonded to two equivalent Mn(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form OMn2Fe4 octahedra that share corners with two equivalent O(2)Mn3Fe3 octahedra, corners with four equivalent O(3)Mn2Fe4 octahedra, edges with four equivalent O(4)Fe6 octahedra, edges with four equivalent O(1)Mn2Fe4 octahedra, and edges with four equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(4) is bonded to two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms to form OFe6 octahedra that share corners with two O(1,1)Mn2Fe4 octahedra; corners with four equivalent O(4)Fe6 octahedra; edges with four equivalent O(1)Mn2Fe4 octahedra; edges with four equivalent O(3)Mn2Fe4 octahedra; and edges with four equivalent O(2)Mn3Fe3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnFe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.859
_cell_length_b   6.859
_cell_length_c   4.311
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.523
_symmetry_Int_Tables_number   1
_cell_volume   120.578
_cell_formula_units_Z   2
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  0.665  0.335  0.000  1.0
  Mn  Mn1  1  0.335  0.665  0.000  1.0
  Fe  Fe2  1  0.166  0.834  0.500  1.0
  Fe  Fe3  1  0.834  0.166  0.500  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.669  0.331  0.500  1.0
  O  O7  1  0.165  0.835  0.000  1.0
  O  O8  1  0.331  0.669  0.500  1.0
  O  O9  1  0.835  0.165  0.000  1.0
  O  O10  1  0.500  0.500  0.000  1.0
  O  O11  1  0.000  0.000  0.500  1.0
[/CIF]
.