The compound described by MgMn4O8 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-46°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to three equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.111
_cell_length_b   7.663
_cell_length_c   7.657
_cell_angle_alpha   87.764
_cell_angle_beta   78.303
_cell_angle_gamma   78.298
_symmetry_Int_Tables_number   1
_cell_volume   175.019
_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  0.257  0.500  0.500  1.0
  Mn  Mn1  1  0.709  0.165  0.524  1.0
  Mn  Mn2  1  0.125  0.477  0.166  1.0
  Mn  Mn3  1  0.768  0.523  0.834  1.0
  Mn  Mn4  1  0.398  0.835  0.476  1.0
  O  O5  1  0.826  0.695  0.624  1.0
  O  O6  1  0.474  0.375  0.698  1.0
  O  O7  1  0.546  0.625  0.302  1.0
  O  O8  1  0.145  0.305  0.376  1.0
  O  O9  1  0.225  0.046  0.627  1.0
  O  O10  1  0.730  0.373  0.046  1.0
  O  O11  1  0.898  0.954  0.373  1.0
  O  O12  1  0.149  0.627  0.954  1.0
[/CIF]
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The compound described by MgMn4O8 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-46°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to three equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.111
_cell_length_b   7.663
_cell_length_c   7.657
_cell_angle_alpha   87.764
_cell_angle_beta   78.303
_cell_angle_gamma   78.298
_symmetry_Int_Tables_number   1
_cell_volume   175.019
_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  0.257  0.500  0.500  1.0
  Mn  Mn1  1  0.709  0.165  0.524  1.0
  Mn  Mn2  1  0.125  0.477  0.166  1.0
  Mn  Mn3  1  0.768  0.523  0.834  1.0
  Mn  Mn4  1  0.398  0.835  0.476  1.0
  O  O5  1  0.826  0.695  0.624  1.0
  O  O6  1  0.474  0.375  0.698  1.0
  O  O7  1  0.546  0.625  0.302  1.0
  O  O8  1  0.145  0.305  0.376  1.0
  O  O9  1  0.225  0.046  0.627  1.0
  O  O10  1  0.730  0.373  0.046  1.0
  O  O11  1  0.898  0.954  0.373  1.0
  O  O12  1  0.149  0.627  0.954  1.0
[/CIF]
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