The material described by MgMn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MnO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMg2Mn2 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_MgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.065
_cell_length_b   6.065
_cell_length_c   6.065
_cell_angle_alpha   120.429
_cell_angle_beta   120.426
_cell_angle_gamma   89.261
_symmetry_Int_Tables_number   1
_cell_volume   156.686
_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
  Mg  Mg0  1  0.000  0.000  0.500  1.0
  Mg  Mg1  1  0.000  0.500  0.000  1.0
  Mn  Mn2  1  0.613  0.863  0.750  1.0
  Mn  Mn3  1  0.387  0.137  0.250  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.255  0.275  0.980  1.0
  O  O7  1  0.247  0.278  0.531  1.0
  O  O8  1  0.795  0.275  0.520  1.0
  O  O9  1  0.247  0.717  0.969  1.0
  O  O10  1  0.753  0.283  0.031  1.0
  O  O11  1  0.753  0.722  0.469  1.0
  O  O12  1  0.205  0.725  0.480  1.0
  O  O13  1  0.745  0.725  0.020  1.0
[/CIF]
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The material described by MgMn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MnO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMg2Mn2 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_MgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.065
_cell_length_b   6.065
_cell_length_c   6.065
_cell_angle_alpha   120.429
_cell_angle_beta   120.426
_cell_angle_gamma   89.261
_symmetry_Int_Tables_number   1
_cell_volume   156.686
_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
  Mg  Mg0  1  0.000  0.000  0.500  1.0
  Mg  Mg1  1  0.000  0.500  0.000  1.0
  Mn  Mn2  1  0.613  0.863  0.750  1.0
  Mn  Mn3  1  0.387  0.137  0.250  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.255  0.275  0.980  1.0
  O  O7  1  0.247  0.278  0.531  1.0
  O  O8  1  0.795  0.275  0.520  1.0
  O  O9  1  0.247  0.717  0.969  1.0
  O  O10  1  0.753  0.283  0.031  1.0
  O  O11  1  0.753  0.722  0.469  1.0
  O  O12  1  0.205  0.725  0.480  1.0
  O  O13  1  0.745  0.725  0.020  1.0
[/CIF]
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