The material structure described by FeMnO3 is Spinel-like structured and crystallizes in the orthorhombic Ibca space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Mn(1), one Mn(2), one Fe(1), and one Fe(2) atom to form distorted corner-sharing OMn2Fe2 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_MnFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.270
_cell_length_b   8.270
_cell_length_c   8.270
_cell_angle_alpha   109.710
_cell_angle_beta   109.271
_cell_angle_gamma   109.433
_symmetry_Int_Tables_number   1
_cell_volume   435.429
_cell_formula_units_Z   8
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  0.218  0.968  0.250  1.0
  Mn  Mn1  1  0.250  0.216  0.966  1.0
  Mn  Mn2  1  0.282  0.532  0.750  1.0
  Mn  Mn3  1  0.250  0.716  0.466  1.0
  Mn  Mn4  1  0.750  0.284  0.534  1.0
  Mn  Mn5  1  0.750  0.784  0.034  1.0
  Mn  Mn6  1  0.718  0.468  0.250  1.0
  Mn  Mn7  1  0.782  0.032  0.750  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.040  0.750  0.790  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.460  0.250  0.710  1.0
  Fe  Fe12  1  0.500  0.500  0.500  1.0
  Fe  Fe13  1  0.540  0.750  0.290  1.0
  Fe  Fe14  1  0.500  0.000  0.000  1.0
  Fe  Fe15  1  0.960  0.250  0.210  1.0
  O  O16  1  0.059  0.509  0.786  1.0
  O  O17  1  0.225  0.950  0.493  1.0
  O  O18  1  0.275  0.768  0.726  1.0
  O  O19  1  0.223  0.273  0.714  1.0
  O  O20  1  0.983  0.044  0.269  1.0
  O  O21  1  0.225  0.456  0.439  1.0
  O  O22  1  0.042  0.268  0.993  1.0
  O  O23  1  0.275  0.714  0.231  1.0
  O  O24  1  0.723  0.009  0.950  1.0
  O  O25  1  0.559  0.773  0.550  1.0
  O  O26  1  0.483  0.214  0.939  1.0
  O  O27  1  0.542  0.550  0.774  1.0
  O  O28  1  0.458  0.450  0.226  1.0
  O  O29  1  0.517  0.786  0.061  1.0
  O  O30  1  0.441  0.227  0.450  1.0
  O  O31  1  0.277  0.991  0.050  1.0
  O  O32  1  0.958  0.732  0.007  1.0
  O  O33  1  0.725  0.286  0.769  1.0
  O  O34  1  0.775  0.544  0.561  1.0
  O  O35  1  0.017  0.956  0.731  1.0
  O  O36  1  0.777  0.727  0.286  1.0
  O  O37  1  0.725  0.232  0.274  1.0
  O  O38  1  0.775  0.050  0.507  1.0
  O  O39  1  0.941  0.491  0.214  1.0
[/CIF]
.
The material structure described by FeMnO3 is Spinel-like structured and crystallizes in the orthorhombic Ibca space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Mn(1), one Mn(2), one Fe(1), and one Fe(2) atom to form distorted corner-sharing OMn2Fe2 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_MnFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.270
_cell_length_b   8.270
_cell_length_c   8.270
_cell_angle_alpha   109.710
_cell_angle_beta   109.271
_cell_angle_gamma   109.433
_symmetry_Int_Tables_number   1
_cell_volume   435.429
_cell_formula_units_Z   8
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  0.218  0.968  0.250  1.0
  Mn  Mn1  1  0.250  0.216  0.966  1.0
  Mn  Mn2  1  0.282  0.532  0.750  1.0
  Mn  Mn3  1  0.250  0.716  0.466  1.0
  Mn  Mn4  1  0.750  0.284  0.534  1.0
  Mn  Mn5  1  0.750  0.784  0.034  1.0
  Mn  Mn6  1  0.718  0.468  0.250  1.0
  Mn  Mn7  1  0.782  0.032  0.750  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.040  0.750  0.790  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.460  0.250  0.710  1.0
  Fe  Fe12  1  0.500  0.500  0.500  1.0
  Fe  Fe13  1  0.540  0.750  0.290  1.0
  Fe  Fe14  1  0.500  0.000  0.000  1.0
  Fe  Fe15  1  0.960  0.250  0.210  1.0
  O  O16  1  0.059  0.509  0.786  1.0
  O  O17  1  0.225  0.950  0.493  1.0
  O  O18  1  0.275  0.768  0.726  1.0
  O  O19  1  0.223  0.273  0.714  1.0
  O  O20  1  0.983  0.044  0.269  1.0
  O  O21  1  0.225  0.456  0.439  1.0
  O  O22  1  0.042  0.268  0.993  1.0
  O  O23  1  0.275  0.714  0.231  1.0
  O  O24  1  0.723  0.009  0.950  1.0
  O  O25  1  0.559  0.773  0.550  1.0
  O  O26  1  0.483  0.214  0.939  1.0
  O  O27  1  0.542  0.550  0.774  1.0
  O  O28  1  0.458  0.450  0.226  1.0
  O  O29  1  0.517  0.786  0.061  1.0
  O  O30  1  0.441  0.227  0.450  1.0
  O  O31  1  0.277  0.991  0.050  1.0
  O  O32  1  0.958  0.732  0.007  1.0
  O  O33  1  0.725  0.286  0.769  1.0
  O  O34  1  0.775  0.544  0.561  1.0
  O  O35  1  0.017  0.956  0.731  1.0
  O  O36  1  0.777  0.727  0.286  1.0
  O  O37  1  0.725  0.232  0.274  1.0
  O  O38  1  0.775  0.050  0.507  1.0
  O  O39  1  0.941  0.491  0.214  1.0
[/CIF]
.