The compound described by MgMn4O8 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.952
_cell_length_b   5.952
_cell_length_c   5.815
_cell_angle_alpha   60.759
_cell_angle_beta   60.759
_cell_angle_gamma   64.064
_symmetry_Int_Tables_number   1
_cell_volume   151.428
_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  0.834  0.834  0.666  1.0
  Mn  Mn1  1  0.138  0.138  0.862  1.0
  Mn  Mn2  1  0.153  0.153  0.347  1.0
  Mn  Mn3  1  0.554  0.554  0.203  1.0
  Mn  Mn4  1  0.554  0.554  0.689  1.0
  O  O5  1  0.303  0.303  0.454  1.0
  O  O6  1  0.427  0.808  0.382  1.0
  O  O7  1  0.303  0.303  0.941  1.0
  O  O8  1  0.808  0.427  0.382  1.0
  O  O9  1  0.445  0.819  0.868  1.0
  O  O10  1  0.819  0.445  0.868  1.0
  O  O11  1  0.993  0.993  0.263  1.0
  O  O12  1  0.993  0.993  0.751  1.0
[/CIF]
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The compound described by MgMn4O8 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.952
_cell_length_b   5.952
_cell_length_c   5.815
_cell_angle_alpha   60.759
_cell_angle_beta   60.759
_cell_angle_gamma   64.064
_symmetry_Int_Tables_number   1
_cell_volume   151.428
_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  0.834  0.834  0.666  1.0
  Mn  Mn1  1  0.138  0.138  0.862  1.0
  Mn  Mn2  1  0.153  0.153  0.347  1.0
  Mn  Mn3  1  0.554  0.554  0.203  1.0
  Mn  Mn4  1  0.554  0.554  0.689  1.0
  O  O5  1  0.303  0.303  0.454  1.0
  O  O6  1  0.427  0.808  0.382  1.0
  O  O7  1  0.303  0.303  0.941  1.0
  O  O8  1  0.808  0.427  0.382  1.0
  O  O9  1  0.445  0.819  0.868  1.0
  O  O10  1  0.819  0.445  0.868  1.0
  O  O11  1  0.993  0.993  0.263  1.0
  O  O12  1  0.993  0.993  0.751  1.0
[/CIF]
.