The material structure described by MgMn2O4 crystallizes in the monoclinic P2_1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 12-60°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 12-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mn(1), and one Mn(2) atom to form OMg2Mn2 tetrahedra that share corners with two equivalent O(3)Mg2Mn2 tetrahedra and edges with four equivalent O(4)Mg2Mn4 octahedra. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form distorted OMg2Mn4 octahedra that share corners with two equivalent O(4)Mg2Mn4 octahedra, edges with two equivalent O(4)Mg2Mn4 octahedra, and edges with four equivalent O(3)Mg2Mn2 tetrahedra. The corner-sharing octahedral tilt angles are 44°. is represented by the CIF card [CIF]
data_MgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.108
_cell_length_b   5.281
_cell_length_c   9.342
_cell_angle_alpha   90.001
_cell_angle_beta   90.002
_cell_angle_gamma   107.301
_symmetry_Int_Tables_number   1
_cell_volume   146.400
_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  0.404  0.814  0.751  1.0
  Mg  Mg1  1  0.596  0.186  0.251  1.0
  Mn  Mn2  1  0.762  0.726  0.071  1.0
  Mn  Mn3  1  0.034  0.273  0.929  1.0
  Mn  Mn4  1  0.965  0.727  0.429  1.0
  Mn  Mn5  1  0.238  0.274  0.571  1.0
  O  O6  1  0.405  0.451  0.385  1.0
  O  O7  1  0.955  0.549  0.615  1.0
  O  O8  1  0.595  0.549  0.885  1.0
  O  O9  1  0.045  0.451  0.115  1.0
  O  O10  1  0.961  0.921  0.250  1.0
  O  O11  1  0.038  0.079  0.750  1.0
  O  O12  1  0.499  0.999  0.999  1.0
  O  O13  1  0.501  0.001  0.499  1.0
[/CIF]
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The material structure described by MgMn2O4 crystallizes in the monoclinic P2_1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 12-60°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 12-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mn(1), and one Mn(2) atom to form OMg2Mn2 tetrahedra that share corners with two equivalent O(3)Mg2Mn2 tetrahedra and edges with four equivalent O(4)Mg2Mn4 octahedra. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form distorted OMg2Mn4 octahedra that share corners with two equivalent O(4)Mg2Mn4 octahedra, edges with two equivalent O(4)Mg2Mn4 octahedra, and edges with four equivalent O(3)Mg2Mn2 tetrahedra. The corner-sharing octahedral tilt angles are 44°. is represented by the CIF card [CIF]
data_MgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.108
_cell_length_b   5.281
_cell_length_c   9.342
_cell_angle_alpha   90.001
_cell_angle_beta   90.002
_cell_angle_gamma   107.301
_symmetry_Int_Tables_number   1
_cell_volume   146.400
_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  0.404  0.814  0.751  1.0
  Mg  Mg1  1  0.596  0.186  0.251  1.0
  Mn  Mn2  1  0.762  0.726  0.071  1.0
  Mn  Mn3  1  0.034  0.273  0.929  1.0
  Mn  Mn4  1  0.965  0.727  0.429  1.0
  Mn  Mn5  1  0.238  0.274  0.571  1.0
  O  O6  1  0.405  0.451  0.385  1.0
  O  O7  1  0.955  0.549  0.615  1.0
  O  O8  1  0.595  0.549  0.885  1.0
  O  O9  1  0.045  0.451  0.115  1.0
  O  O10  1  0.961  0.921  0.250  1.0
  O  O11  1  0.038  0.079  0.750  1.0
  O  O12  1  0.499  0.999  0.999  1.0
  O  O13  1  0.501  0.001  0.499  1.0
[/CIF]
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