The material structure described by MgMn4O8 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. 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 MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.043
_cell_length_b   6.043
_cell_length_c   6.043
_cell_angle_alpha   59.224
_cell_angle_beta   59.224
_cell_angle_gamma   59.224
_symmetry_Int_Tables_number   1
_cell_volume   153.310
_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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.297  0.747  0.747  1.0
  O  O6  1  0.253  0.253  0.703  1.0
  O  O7  1  0.703  0.253  0.253  1.0
  O  O8  1  0.253  0.703  0.253  1.0
  O  O9  1  0.268  0.268  0.268  1.0
  O  O10  1  0.732  0.732  0.732  1.0
  O  O11  1  0.747  0.297  0.747  1.0
  O  O12  1  0.747  0.747  0.297  1.0
[/CIF]
.
The material structure described by MgMn4O8 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. 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 MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.043
_cell_length_b   6.043
_cell_length_c   6.043
_cell_angle_alpha   59.224
_cell_angle_beta   59.224
_cell_angle_gamma   59.224
_symmetry_Int_Tables_number   1
_cell_volume   153.310
_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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.297  0.747  0.747  1.0
  O  O6  1  0.253  0.253  0.703  1.0
  O  O7  1  0.703  0.253  0.253  1.0
  O  O8  1  0.253  0.703  0.253  1.0
  O  O9  1  0.268  0.268  0.268  1.0
  O  O10  1  0.732  0.732  0.732  1.0
  O  O11  1  0.747  0.297  0.747  1.0
  O  O12  1  0.747  0.747  0.297  1.0
[/CIF]
.