The structure described by MgMn2O4 crystallizes in the monoclinic P2/m 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 four equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the second Mn site, Mn(2) is bonded in a distorted square co-planar geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.877
_cell_length_b   6.310
_cell_length_c   5.323
_cell_angle_alpha   93.285
_cell_angle_beta   90.000
_cell_angle_gamma   117.122
_symmetry_Int_Tables_number   1
_cell_volume   85.825
_cell_formula_units_Z   1
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
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  O  O3  1  0.391  0.891  0.219  1.0
  O  O4  1  0.315  0.315  0.342  1.0
  O  O5  1  0.685  0.685  0.658  1.0
  O  O6  1  0.609  0.109  0.781  1.0
[/CIF]
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The structure described by MgMn2O4 crystallizes in the monoclinic P2/m 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 four equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the second Mn site, Mn(2) is bonded in a distorted square co-planar geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.877
_cell_length_b   6.310
_cell_length_c   5.323
_cell_angle_alpha   93.285
_cell_angle_beta   90.000
_cell_angle_gamma   117.122
_symmetry_Int_Tables_number   1
_cell_volume   85.825
_cell_formula_units_Z   1
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
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  O  O3  1  0.391  0.891  0.219  1.0
  O  O4  1  0.315  0.315  0.342  1.0
  O  O5  1  0.685  0.685  0.658  1.0
  O  O6  1  0.609  0.109  0.781  1.0
[/CIF]
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