The material structure described by MgMn4O8 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent O(3) 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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) 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, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) 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, edges with two equivalent Mn(2)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 in a 3-coordinate geometry to 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 one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing OMgMn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.047
_cell_length_b   6.047
_cell_length_c   6.047
_cell_angle_alpha   122.353
_cell_angle_beta   122.017
_cell_angle_gamma   86.255
_symmetry_Int_Tables_number   1
_cell_volume   150.813
_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  0.614  0.114  0.500  1.0
  Mn  Mn1  1  0.248  0.993  0.744  1.0
  Mn  Mn2  1  0.248  0.504  0.256  1.0
  Mn  Mn3  1  0.755  0.500  0.255  1.0
  Mn  Mn4  1  0.245  0.500  0.745  1.0
  O  O5  1  0.037  0.751  0.287  1.0
  O  O6  1  0.464  0.751  0.713  1.0
  O  O7  1  0.031  0.753  0.722  1.0
  O  O8  1  0.031  0.308  0.278  1.0
  O  O9  1  0.025  0.249  0.776  1.0
  O  O10  1  0.473  0.249  0.224  1.0
  O  O11  1  0.477  0.702  0.225  1.0
  O  O12  1  0.477  0.251  0.775  1.0
[/CIF]
.
The material structure described by MgMn4O8 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent O(3) 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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) 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, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) 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, edges with two equivalent Mn(2)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 in a 3-coordinate geometry to 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 one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing OMgMn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.047
_cell_length_b   6.047
_cell_length_c   6.047
_cell_angle_alpha   122.353
_cell_angle_beta   122.017
_cell_angle_gamma   86.255
_symmetry_Int_Tables_number   1
_cell_volume   150.813
_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  0.614  0.114  0.500  1.0
  Mn  Mn1  1  0.248  0.993  0.744  1.0
  Mn  Mn2  1  0.248  0.504  0.256  1.0
  Mn  Mn3  1  0.755  0.500  0.255  1.0
  Mn  Mn4  1  0.245  0.500  0.745  1.0
  O  O5  1  0.037  0.751  0.287  1.0
  O  O6  1  0.464  0.751  0.713  1.0
  O  O7  1  0.031  0.753  0.722  1.0
  O  O8  1  0.031  0.308  0.278  1.0
  O  O9  1  0.025  0.249  0.776  1.0
  O  O10  1  0.473  0.249  0.224  1.0
  O  O11  1  0.477  0.702  0.225  1.0
  O  O12  1  0.477  0.251  0.775  1.0
[/CIF]
.