The material structure described by MgMn4O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a body-centered cubic geometry to eight O(2,2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three O(1,1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(1) is bonded to three O(1,1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three Mn(1,1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to three Mn(1,1) atoms. In the third O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent Mn(1) atoms. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and 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   3.075
_cell_length_b   6.899
_cell_length_c   6.910
_cell_angle_alpha   87.143
_cell_angle_beta   77.115
_cell_angle_gamma   77.171
_symmetry_Int_Tables_number   1
_cell_volume   139.363
_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  1.000  0.000  1.0
  Mn  Mn1  1  0.647  0.182  0.523  1.0
  Mn  Mn2  1  0.170  0.478  0.182  1.0
  Mn  Mn3  1  0.830  0.522  0.818  1.0
  Mn  Mn4  1  0.353  0.818  0.477  1.0
  O  O5  1  0.836  0.713  0.616  1.0
  O  O6  1  0.451  0.384  0.713  1.0
  O  O7  1  0.549  0.616  0.287  1.0
  O  O8  1  0.164  0.287  0.384  1.0
  O  O9  1  0.142  0.039  0.678  1.0
  O  O10  1  0.819  0.322  0.039  1.0
  O  O11  1  0.858  0.961  0.322  1.0
  O  O12  1  0.181  0.678  0.961  1.0
[/CIF]
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The material structure described by MgMn4O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a body-centered cubic geometry to eight O(2,2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three O(1,1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(1) is bonded to three O(1,1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to three Mn(1,1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to three Mn(1,1) atoms. In the third O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent Mn(1) atoms. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and 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   3.075
_cell_length_b   6.899
_cell_length_c   6.910
_cell_angle_alpha   87.143
_cell_angle_beta   77.115
_cell_angle_gamma   77.171
_symmetry_Int_Tables_number   1
_cell_volume   139.363
_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  1.000  0.000  1.0
  Mn  Mn1  1  0.647  0.182  0.523  1.0
  Mn  Mn2  1  0.170  0.478  0.182  1.0
  Mn  Mn3  1  0.830  0.522  0.818  1.0
  Mn  Mn4  1  0.353  0.818  0.477  1.0
  O  O5  1  0.836  0.713  0.616  1.0
  O  O6  1  0.451  0.384  0.713  1.0
  O  O7  1  0.549  0.616  0.287  1.0
  O  O8  1  0.164  0.287  0.384  1.0
  O  O9  1  0.142  0.039  0.678  1.0
  O  O10  1  0.819  0.322  0.039  1.0
  O  O11  1  0.858  0.961  0.322  1.0
  O  O12  1  0.181  0.678  0.961  1.0
[/CIF]
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