The material structure described by FeMn2O4 is Spinel structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(6), and two equivalent O(5) atoms to form FeO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one Fe(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(3), and one Fe(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(3), and one Fe(1) atom. In the fourth O site, O(4) is bonded to one Mn(2), two equivalent Mn(3), and one Fe(2) atom to form distorted corner-sharing OMn3Fe trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one Fe(1) atom. In the sixth O site, O(6) is bonded to one Mn(2), two equivalent Mn(3), and one Fe(1) atom to form distorted corner-sharing OMn3Fe trigonal pyramids. is represented by the CIF card [CIF]
data_Mn2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.890
_cell_length_c   6.193
_cell_angle_alpha   61.603
_cell_angle_beta   61.837
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   161.917
_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  0.872  0.623  0.754  1.0
  Mn  Mn1  1  0.375  0.628  0.745  1.0
  Mn  Mn2  1  0.379  0.628  0.240  1.0
  Mn  Mn3  1  0.379  0.133  0.240  1.0
  Fe  Fe4  1  0.989  0.002  0.997  1.0
  Fe  Fe5  1  0.759  0.247  0.506  1.0
  O  O6  1  0.638  0.848  0.760  1.0
  O  O7  1  0.591  0.372  0.257  1.0
  O  O8  1  0.155  0.882  0.237  1.0
  O  O9  1  0.164  0.383  0.234  1.0
  O  O10  1  0.106  0.858  0.757  1.0
  O  O11  1  0.638  0.392  0.760  1.0
  O  O12  1  0.106  0.385  0.757  1.0
  O  O13  1  0.597  0.871  0.257  1.0
[/CIF]
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The material structure described by FeMn2O4 is Spinel structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(6), and two equivalent O(5) atoms to form FeO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one Fe(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(3), and one Fe(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(3), and one Fe(1) atom. In the fourth O site, O(4) is bonded to one Mn(2), two equivalent Mn(3), and one Fe(2) atom to form distorted corner-sharing OMn3Fe trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one Fe(1) atom. In the sixth O site, O(6) is bonded to one Mn(2), two equivalent Mn(3), and one Fe(1) atom to form distorted corner-sharing OMn3Fe trigonal pyramids. is represented by the CIF card [CIF]
data_Mn2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.890
_cell_length_c   6.193
_cell_angle_alpha   61.603
_cell_angle_beta   61.837
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   161.917
_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  0.872  0.623  0.754  1.0
  Mn  Mn1  1  0.375  0.628  0.745  1.0
  Mn  Mn2  1  0.379  0.628  0.240  1.0
  Mn  Mn3  1  0.379  0.133  0.240  1.0
  Fe  Fe4  1  0.989  0.002  0.997  1.0
  Fe  Fe5  1  0.759  0.247  0.506  1.0
  O  O6  1  0.638  0.848  0.760  1.0
  O  O7  1  0.591  0.372  0.257  1.0
  O  O8  1  0.155  0.882  0.237  1.0
  O  O9  1  0.164  0.383  0.234  1.0
  O  O10  1  0.106  0.858  0.757  1.0
  O  O11  1  0.638  0.392  0.760  1.0
  O  O12  1  0.106  0.385  0.757  1.0
  O  O13  1  0.597  0.871  0.257  1.0
[/CIF]
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