The crystal structure described by Mg2Mn3O6 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O5 trigonal bipyramids, edges with four equivalent Mg(1)O6 octahedra, edges with three equivalent Mn(2)O5 trigonal bipyramids, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with eight equivalent Mn(2)O5 trigonal bipyramids, edges with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-75°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with two equivalent O(3)Mg3Mn2 square pyramids, corners with four equivalent O(2)MgMn3 tetrahedra, corners with two equivalent O(1)Mg2Mn3 trigonal bipyramids, edges with three equivalent O(3)Mg3Mn2 square pyramids, edges with two equivalent O(2)MgMn3 tetrahedra, and edges with three equivalent O(1)Mg2Mn3 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted OMgMn3 tetrahedra that share corners with five equivalent O(3)Mg3Mn2 square pyramids, corners with three equivalent O(2)MgMn3 tetrahedra, corners with four equivalent O(1)Mg2Mn3 trigonal bipyramids,  an edgeedge with one O(3)Mg3Mn2 square pyramid, and edges with two equivalent O(1)Mg2Mn3 trigonal bipyramids. In the third O site, O(3) is bonded to three equivalent Mg(1) and two equivalent Mn(2) atoms to form OMg3Mn2 square pyramids that share corners with five equivalent O(2)MgMn3 tetrahedra, corners with two equivalent O(1)Mg2Mn3 trigonal bipyramids, edges with four equivalent O(3)Mg3Mn2 square pyramids,  an edgeedge with one O(2)MgMn3 tetrahedra, and edges with three equivalent O(1)Mg2Mn3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Mn3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.996
_cell_length_b   7.996
_cell_length_c   5.466
_cell_angle_alpha   78.695
_cell_angle_beta   78.695
_cell_angle_gamma   21.236
_symmetry_Int_Tables_number   1
_cell_volume   124.050
_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  0.176  0.176  0.412  1.0
  Mg  Mg1  1  0.824  0.824  0.588  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.647  0.647  0.914  1.0
  Mn  Mn4  1  0.353  0.353  0.086  1.0
  O  O5  1  0.408  0.408  0.413  1.0
  O  O6  1  0.592  0.592  0.587  1.0
  O  O7  1  0.900  0.900  0.865  1.0
  O  O8  1  0.100  0.100  0.135  1.0
  O  O9  1  0.770  0.770  0.261  1.0
  O  O10  1  0.230  0.230  0.739  1.0
[/CIF]
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The crystal structure described by Mg2Mn3O6 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O5 trigonal bipyramids, edges with four equivalent Mg(1)O6 octahedra, edges with three equivalent Mn(2)O5 trigonal bipyramids, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with eight equivalent Mn(2)O5 trigonal bipyramids, edges with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-75°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with two equivalent O(3)Mg3Mn2 square pyramids, corners with four equivalent O(2)MgMn3 tetrahedra, corners with two equivalent O(1)Mg2Mn3 trigonal bipyramids, edges with three equivalent O(3)Mg3Mn2 square pyramids, edges with two equivalent O(2)MgMn3 tetrahedra, and edges with three equivalent O(1)Mg2Mn3 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted OMgMn3 tetrahedra that share corners with five equivalent O(3)Mg3Mn2 square pyramids, corners with three equivalent O(2)MgMn3 tetrahedra, corners with four equivalent O(1)Mg2Mn3 trigonal bipyramids,  an edgeedge with one O(3)Mg3Mn2 square pyramid, and edges with two equivalent O(1)Mg2Mn3 trigonal bipyramids. In the third O site, O(3) is bonded to three equivalent Mg(1) and two equivalent Mn(2) atoms to form OMg3Mn2 square pyramids that share corners with five equivalent O(2)MgMn3 tetrahedra, corners with two equivalent O(1)Mg2Mn3 trigonal bipyramids, edges with four equivalent O(3)Mg3Mn2 square pyramids,  an edgeedge with one O(2)MgMn3 tetrahedra, and edges with three equivalent O(1)Mg2Mn3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Mn3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.996
_cell_length_b   7.996
_cell_length_c   5.466
_cell_angle_alpha   78.695
_cell_angle_beta   78.695
_cell_angle_gamma   21.236
_symmetry_Int_Tables_number   1
_cell_volume   124.050
_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  0.176  0.176  0.412  1.0
  Mg  Mg1  1  0.824  0.824  0.588  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.647  0.647  0.914  1.0
  Mn  Mn4  1  0.353  0.353  0.086  1.0
  O  O5  1  0.408  0.408  0.413  1.0
  O  O6  1  0.592  0.592  0.587  1.0
  O  O7  1  0.900  0.900  0.865  1.0
  O  O8  1  0.100  0.100  0.135  1.0
  O  O9  1  0.770  0.770  0.261  1.0
  O  O10  1  0.230  0.230  0.739  1.0
[/CIF]
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