The crystal structure described by MnFe2O4 crystallizes in the orthorhombic Cmcm space group. Mn(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Fe(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to two equivalent Mn(1) and four equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Fe(1) atoms to form distorted OMn2Fe2 tetrahedra that share corners with two equivalent O(2)Mn2Fe2 tetrahedra, corners with ten equivalent O(3)Mn2Fe3 trigonal bipyramids, and edges with two equivalent O(3)Mn2Fe3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Mn(1) and three equivalent Fe(1) atoms to form distorted OMn2Fe3 trigonal bipyramids that share corners with five equivalent O(2)Mn2Fe2 tetrahedra, corners with two equivalent O(3)Mn2Fe3 trigonal bipyramids,  an edgeedge with one O(2)Mn2Fe2 tetrahedra, and edges with five equivalent O(3)Mn2Fe3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Mn(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.984
_cell_length_b   5.149
_cell_length_c   10.044
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.841
_symmetry_Int_Tables_number   1
_cell_volume   147.683
_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  0.889  0.277  0.750  1.0
  Mn  Mn1  1  0.111  0.723  0.250  1.0
  Fe  Fe2  1  0.367  0.234  0.428  1.0
  Fe  Fe3  1  0.633  0.766  0.928  1.0
  Fe  Fe4  1  0.633  0.766  0.572  1.0
  Fe  Fe5  1  0.367  0.234  0.072  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.454  0.407  0.250  1.0
  O  O9  1  0.546  0.593  0.750  1.0
  O  O10  1  0.730  0.961  0.389  1.0
  O  O11  1  0.270  0.039  0.889  1.0
  O  O12  1  0.270  0.039  0.611  1.0
  O  O13  1  0.730  0.961  0.111  1.0
[/CIF]
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The crystal structure described by MnFe2O4 crystallizes in the orthorhombic Cmcm space group. Mn(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Fe(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to two equivalent Mn(1) and four equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Fe(1) atoms to form distorted OMn2Fe2 tetrahedra that share corners with two equivalent O(2)Mn2Fe2 tetrahedra, corners with ten equivalent O(3)Mn2Fe3 trigonal bipyramids, and edges with two equivalent O(3)Mn2Fe3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Mn(1) and three equivalent Fe(1) atoms to form distorted OMn2Fe3 trigonal bipyramids that share corners with five equivalent O(2)Mn2Fe2 tetrahedra, corners with two equivalent O(3)Mn2Fe3 trigonal bipyramids,  an edgeedge with one O(2)Mn2Fe2 tetrahedra, and edges with five equivalent O(3)Mn2Fe3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Mn(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.984
_cell_length_b   5.149
_cell_length_c   10.044
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.841
_symmetry_Int_Tables_number   1
_cell_volume   147.683
_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  0.889  0.277  0.750  1.0
  Mn  Mn1  1  0.111  0.723  0.250  1.0
  Fe  Fe2  1  0.367  0.234  0.428  1.0
  Fe  Fe3  1  0.633  0.766  0.928  1.0
  Fe  Fe4  1  0.633  0.766  0.572  1.0
  Fe  Fe5  1  0.367  0.234  0.072  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.454  0.407  0.250  1.0
  O  O9  1  0.546  0.593  0.750  1.0
  O  O10  1  0.730  0.961  0.389  1.0
  O  O11  1  0.270  0.039  0.889  1.0
  O  O12  1  0.270  0.039  0.611  1.0
  O  O13  1  0.730  0.961  0.111  1.0
[/CIF]
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