The material structure described by MgMn5O8 is Spinel-like structured and crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form MgO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. There are three 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 MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form corner-sharing MnO4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms to form distorted OMgMn3 trigonal pyramids that share  a cornercorner with one O(1)MgMn3 trigonal pyramid, corners with two equivalent O(4)MgMn3 trigonal pyramids, corners with four equivalent O(2)Mn4 trigonal pyramids, corners with five equivalent O(3)Mn4 trigonal pyramids,  an edgeedge with one O(1)MgMn3 trigonal pyramid, and edges with two equivalent O(4)MgMn3 trigonal pyramids. In the second O site, O(2) is bonded to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms to form distorted OMn4 trigonal pyramids that share  a cornercorner with one O(2)Mn4 trigonal pyramid, corners with two equivalent O(3)Mn4 trigonal pyramids, corners with four equivalent O(1)MgMn3 trigonal pyramids, corners with five equivalent O(4)MgMn3 trigonal pyramids,  an edgeedge with one O(2)Mn4 trigonal pyramid, and edges with two equivalent O(3)Mn4 trigonal pyramids. In the third O site, O(3) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form distorted OMn4 trigonal pyramids that share  a cornercorner with one O(3)Mn4 trigonal pyramid, corners with two equivalent O(2)Mn4 trigonal pyramids, corners with four equivalent O(4)MgMn3 trigonal pyramids, corners with five equivalent O(1)MgMn3 trigonal pyramids,  an edgeedge with one O(3)Mn4 trigonal pyramid, and edges with two equivalent O(2)Mn4 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(3), and two equivalent Mn(1) atoms to form distorted OMgMn3 trigonal pyramids that share  a cornercorner with one O(4)MgMn3 trigonal pyramid, corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with four equivalent O(3)Mn4 trigonal pyramids, corners with five equivalent O(2)Mn4 trigonal pyramids,  an edgeedge with one O(4)MgMn3 trigonal pyramid, and edges with two equivalent O(1)MgMn3 trigonal pyramids. is represented by the CIF file [CIF]
data_MgMn5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.883
_cell_length_b   6.294
_cell_length_c   6.297
_cell_angle_alpha   97.313
_cell_angle_beta   62.181
_cell_angle_gamma   62.159
_symmetry_Int_Tables_number   1
_cell_volume   163.625
_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  0.729  0.135  0.406  1.0
  Mn  Mn1  1  0.982  0.507  0.529  1.0
  Mn  Mn2  1  0.230  0.885  0.656  1.0
  Mn  Mn3  1  0.479  0.010  0.032  1.0
  Mn  Mn4  1  0.981  0.510  0.031  1.0
  Mn  Mn5  1  0.478  0.510  0.030  1.0
  O  O6  1  0.455  0.280  0.809  1.0
  O  O7  1  0.951  0.295  0.802  1.0
  O  O8  1  0.509  0.751  0.787  1.0
  O  O9  1  0.952  0.752  0.788  1.0
  O  O10  1  0.004  0.263  0.276  1.0
  O  O11  1  0.456  0.264  0.276  1.0
  O  O12  1  0.004  0.732  0.260  1.0
  O  O13  1  0.508  0.739  0.245  1.0
[/CIF]
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The material structure described by MgMn5O8 is Spinel-like structured and crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form MgO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. There are three 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 MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form corner-sharing MnO4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 tetrahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms to form distorted OMgMn3 trigonal pyramids that share  a cornercorner with one O(1)MgMn3 trigonal pyramid, corners with two equivalent O(4)MgMn3 trigonal pyramids, corners with four equivalent O(2)Mn4 trigonal pyramids, corners with five equivalent O(3)Mn4 trigonal pyramids,  an edgeedge with one O(1)MgMn3 trigonal pyramid, and edges with two equivalent O(4)MgMn3 trigonal pyramids. In the second O site, O(2) is bonded to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms to form distorted OMn4 trigonal pyramids that share  a cornercorner with one O(2)Mn4 trigonal pyramid, corners with two equivalent O(3)Mn4 trigonal pyramids, corners with four equivalent O(1)MgMn3 trigonal pyramids, corners with five equivalent O(4)MgMn3 trigonal pyramids,  an edgeedge with one O(2)Mn4 trigonal pyramid, and edges with two equivalent O(3)Mn4 trigonal pyramids. In the third O site, O(3) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form distorted OMn4 trigonal pyramids that share  a cornercorner with one O(3)Mn4 trigonal pyramid, corners with two equivalent O(2)Mn4 trigonal pyramids, corners with four equivalent O(4)MgMn3 trigonal pyramids, corners with five equivalent O(1)MgMn3 trigonal pyramids,  an edgeedge with one O(3)Mn4 trigonal pyramid, and edges with two equivalent O(2)Mn4 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(3), and two equivalent Mn(1) atoms to form distorted OMgMn3 trigonal pyramids that share  a cornercorner with one O(4)MgMn3 trigonal pyramid, corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with four equivalent O(3)Mn4 trigonal pyramids, corners with five equivalent O(2)Mn4 trigonal pyramids,  an edgeedge with one O(4)MgMn3 trigonal pyramid, and edges with two equivalent O(1)MgMn3 trigonal pyramids. is represented by the CIF file [CIF]
data_MgMn5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.883
_cell_length_b   6.294
_cell_length_c   6.297
_cell_angle_alpha   97.313
_cell_angle_beta   62.181
_cell_angle_gamma   62.159
_symmetry_Int_Tables_number   1
_cell_volume   163.625
_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  0.729  0.135  0.406  1.0
  Mn  Mn1  1  0.982  0.507  0.529  1.0
  Mn  Mn2  1  0.230  0.885  0.656  1.0
  Mn  Mn3  1  0.479  0.010  0.032  1.0
  Mn  Mn4  1  0.981  0.510  0.031  1.0
  Mn  Mn5  1  0.478  0.510  0.030  1.0
  O  O6  1  0.455  0.280  0.809  1.0
  O  O7  1  0.951  0.295  0.802  1.0
  O  O8  1  0.509  0.751  0.787  1.0
  O  O9  1  0.952  0.752  0.788  1.0
  O  O10  1  0.004  0.263  0.276  1.0
  O  O11  1  0.456  0.264  0.276  1.0
  O  O12  1  0.004  0.732  0.260  1.0
  O  O13  1  0.508  0.739  0.245  1.0
[/CIF]
.