The material described by MgMn2O4 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, and edges with six equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2) and three equivalent O(1) atoms to form MnO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine 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 one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(2), one Mn(1), and two equivalent Mn(2) atoms to form distorted OMgMn3 trigonal pyramids that share corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with seven equivalent O(4)Mg2Mn2 trigonal pyramids, and edges with two equivalent O(1)MgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1) and three equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1) and three equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(2) atoms to form distorted OMg2Mn2 trigonal pyramids that share corners with two equivalent O(4)Mg2Mn2 trigonal pyramids, corners with seven equivalent O(1)MgMn3 trigonal pyramids, and edges with two equivalent O(4)Mg2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_MgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.051
_cell_length_b   6.051
_cell_length_c   6.051
_cell_angle_alpha   60.285
_cell_angle_beta   60.285
_cell_angle_gamma   60.285
_symmetry_Int_Tables_number   1
_cell_volume   157.669
_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  0.993  0.993  0.993  1.0
  Mg  Mg1  1  0.375  0.375  0.375  1.0
  Mn  Mn2  1  0.756  0.756  0.756  1.0
  Mn  Mn3  1  0.374  0.877  0.374  1.0
  Mn  Mn4  1  0.877  0.374  0.374  1.0
  Mn  Mn5  1  0.374  0.374  0.877  1.0
  O  O6  1  0.619  0.619  0.171  1.0
  O  O7  1  0.171  0.619  0.619  1.0
  O  O8  1  0.619  0.171  0.619  1.0
  O  O9  1  0.620  0.620  0.620  1.0
  O  O10  1  0.128  0.128  0.128  1.0
  O  O11  1  0.131  0.584  0.131  1.0
  O  O12  1  0.584  0.131  0.131  1.0
  O  O13  1  0.131  0.131  0.584  1.0
[/CIF]
.
The material described by MgMn2O4 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, and edges with six equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2) and three equivalent O(1) atoms to form MnO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine 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 one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(2), one Mn(1), and two equivalent Mn(2) atoms to form distorted OMgMn3 trigonal pyramids that share corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with seven equivalent O(4)Mg2Mn2 trigonal pyramids, and edges with two equivalent O(1)MgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1) and three equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1) and three equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(2) atoms to form distorted OMg2Mn2 trigonal pyramids that share corners with two equivalent O(4)Mg2Mn2 trigonal pyramids, corners with seven equivalent O(1)MgMn3 trigonal pyramids, and edges with two equivalent O(4)Mg2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_MgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.051
_cell_length_b   6.051
_cell_length_c   6.051
_cell_angle_alpha   60.285
_cell_angle_beta   60.285
_cell_angle_gamma   60.285
_symmetry_Int_Tables_number   1
_cell_volume   157.669
_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  0.993  0.993  0.993  1.0
  Mg  Mg1  1  0.375  0.375  0.375  1.0
  Mn  Mn2  1  0.756  0.756  0.756  1.0
  Mn  Mn3  1  0.374  0.877  0.374  1.0
  Mn  Mn4  1  0.877  0.374  0.374  1.0
  Mn  Mn5  1  0.374  0.374  0.877  1.0
  O  O6  1  0.619  0.619  0.171  1.0
  O  O7  1  0.171  0.619  0.619  1.0
  O  O8  1  0.619  0.171  0.619  1.0
  O  O9  1  0.620  0.620  0.620  1.0
  O  O10  1  0.128  0.128  0.128  1.0
  O  O11  1  0.131  0.584  0.131  1.0
  O  O12  1  0.584  0.131  0.131  1.0
  O  O13  1  0.131  0.131  0.584  1.0
[/CIF]
.