The structure described by Mg2Mn3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), and four equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) 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(3) atoms to form edge-sharing MnO6 octahedra. There are three 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(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OMg2Mn2 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mg2Mn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.824
_cell_length_b   5.824
_cell_length_c   4.804
_cell_angle_alpha   72.930
_cell_angle_beta   107.070
_cell_angle_gamma   121.616
_symmetry_Int_Tables_number   1
_cell_volume   130.709
_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  0.277  0.723  0.347  1.0
  Mg  Mg1  1  0.723  0.277  0.653  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.261  0.261  0.000  1.0
  Mn  Mn4  1  0.739  0.739  0.000  1.0
  O  O5  1  0.105  0.895  0.910  1.0
  O  O6  1  0.114  0.340  0.600  1.0
  O  O7  1  0.660  0.886  0.600  1.0
  O  O8  1  0.392  0.608  0.068  1.0
  O  O9  1  0.608  0.392  0.932  1.0
  O  O10  1  0.340  0.114  0.400  1.0
  O  O11  1  0.886  0.660  0.400  1.0
  O  O12  1  0.895  0.105  0.090  1.0
[/CIF]
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The structure described by Mg2Mn3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), and four equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) 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(3) atoms to form edge-sharing MnO6 octahedra. There are three 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(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OMg2Mn2 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mg2Mn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.824
_cell_length_b   5.824
_cell_length_c   4.804
_cell_angle_alpha   72.930
_cell_angle_beta   107.070
_cell_angle_gamma   121.616
_symmetry_Int_Tables_number   1
_cell_volume   130.709
_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  0.277  0.723  0.347  1.0
  Mg  Mg1  1  0.723  0.277  0.653  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.261  0.261  0.000  1.0
  Mn  Mn4  1  0.739  0.739  0.000  1.0
  O  O5  1  0.105  0.895  0.910  1.0
  O  O6  1  0.114  0.340  0.600  1.0
  O  O7  1  0.660  0.886  0.600  1.0
  O  O8  1  0.392  0.608  0.068  1.0
  O  O9  1  0.608  0.392  0.932  1.0
  O  O10  1  0.340  0.114  0.400  1.0
  O  O11  1  0.886  0.660  0.400  1.0
  O  O12  1  0.895  0.105  0.090  1.0
[/CIF]
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