The compound described by MgMn3O6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mn(3)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-40°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the second Mn site, Mn(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-53°. In the third Mn site, Mn(3) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms to form OMgMn3 trigonal pyramids that share corners with two equivalent O(4)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with three equivalent O(5)MgMn3 trigonal pyramids, edges with two equivalent O(6)Mg2Mn3 square pyramids, edges with two equivalent O(4)Mg2Mn3 trigonal bipyramids, and  an edgeedge with one O(5)MgMn3 trigonal pyramid. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Mn(3), and two equivalent Mn(1) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with three equivalent O(6)Mg2Mn3 square pyramids, corners with two equivalent O(1)MgMn3 trigonal pyramids,  an edgeedge with one O(6)Mg2Mn3 square pyramid, edges with two equivalent O(4)Mg2Mn3 trigonal bipyramids, edges with two equivalent O(1)MgMn3 trigonal pyramids, and edges with two equivalent O(5)MgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(3) atoms to form distorted OMgMn3 trigonal pyramids that share corners with two equivalent O(6)Mg2Mn3 square pyramids, corners with two equivalent O(5)MgMn3 trigonal pyramids, corners with three equivalent O(1)MgMn3 trigonal pyramids, edges with two equivalent O(6)Mg2Mn3 square pyramids, edges with two equivalent O(4)Mg2Mn3 trigonal bipyramids, and  an edgeedge with one O(1)MgMn3 trigonal pyramid. In the sixth O site, O(6) is bonded to two equivalent Mg(1), one Mn(3), and two equivalent Mn(2) atoms to form OMg2Mn3 square pyramids that share corners with three equivalent O(4)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(5)MgMn3 trigonal pyramids, edges with two equivalent O(6)Mg2Mn3 square pyramids,  an edgeedge with one O(4)Mg2Mn3 trigonal bipyramid, edges with two equivalent O(1)MgMn3 trigonal pyramids, and edges with two equivalent O(5)MgMn3 trigonal pyramids. is represented by the CIF card [CIF]
data_MgMn3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.174
_cell_length_b   7.174
_cell_length_c   5.165
_cell_angle_alpha   84.701
_cell_angle_beta   84.701
_cell_angle_gamma   23.773
_symmetry_Int_Tables_number   1
_cell_volume   106.688
_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  0.191  0.191  0.940  1.0
  Mn  Mn1  1  0.990  0.990  0.999  1.0
  Mn  Mn2  1  0.349  0.349  0.533  1.0
  Mn  Mn3  1  0.650  0.650  0.457  1.0
  O  O4  1  0.091  0.091  0.663  1.0
  O  O5  1  0.912  0.912  0.346  1.0
  O  O6  1  0.424  0.424  0.859  1.0
  O  O7  1  0.582  0.582  0.115  1.0
  O  O8  1  0.228  0.228  0.298  1.0
  O  O9  1  0.761  0.761  0.718  1.0
[/CIF]
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The compound described by MgMn3O6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mn(3)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-40°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the second Mn site, Mn(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-53°. In the third Mn site, Mn(3) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms to form OMgMn3 trigonal pyramids that share corners with two equivalent O(4)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(1)MgMn3 trigonal pyramids, corners with three equivalent O(5)MgMn3 trigonal pyramids, edges with two equivalent O(6)Mg2Mn3 square pyramids, edges with two equivalent O(4)Mg2Mn3 trigonal bipyramids, and  an edgeedge with one O(5)MgMn3 trigonal pyramid. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Mn(3), and two equivalent Mn(1) atoms to form distorted OMg2Mn3 trigonal bipyramids that share corners with three equivalent O(6)Mg2Mn3 square pyramids, corners with two equivalent O(1)MgMn3 trigonal pyramids,  an edgeedge with one O(6)Mg2Mn3 square pyramid, edges with two equivalent O(4)Mg2Mn3 trigonal bipyramids, edges with two equivalent O(1)MgMn3 trigonal pyramids, and edges with two equivalent O(5)MgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(3) atoms to form distorted OMgMn3 trigonal pyramids that share corners with two equivalent O(6)Mg2Mn3 square pyramids, corners with two equivalent O(5)MgMn3 trigonal pyramids, corners with three equivalent O(1)MgMn3 trigonal pyramids, edges with two equivalent O(6)Mg2Mn3 square pyramids, edges with two equivalent O(4)Mg2Mn3 trigonal bipyramids, and  an edgeedge with one O(1)MgMn3 trigonal pyramid. In the sixth O site, O(6) is bonded to two equivalent Mg(1), one Mn(3), and two equivalent Mn(2) atoms to form OMg2Mn3 square pyramids that share corners with three equivalent O(4)Mg2Mn3 trigonal bipyramids, corners with two equivalent O(5)MgMn3 trigonal pyramids, edges with two equivalent O(6)Mg2Mn3 square pyramids,  an edgeedge with one O(4)Mg2Mn3 trigonal bipyramid, edges with two equivalent O(1)MgMn3 trigonal pyramids, and edges with two equivalent O(5)MgMn3 trigonal pyramids. is represented by the CIF card [CIF]
data_MgMn3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.174
_cell_length_b   7.174
_cell_length_c   5.165
_cell_angle_alpha   84.701
_cell_angle_beta   84.701
_cell_angle_gamma   23.773
_symmetry_Int_Tables_number   1
_cell_volume   106.688
_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  0.191  0.191  0.940  1.0
  Mn  Mn1  1  0.990  0.990  0.999  1.0
  Mn  Mn2  1  0.349  0.349  0.533  1.0
  Mn  Mn3  1  0.650  0.650  0.457  1.0
  O  O4  1  0.091  0.091  0.663  1.0
  O  O5  1  0.912  0.912  0.346  1.0
  O  O6  1  0.424  0.424  0.859  1.0
  O  O7  1  0.582  0.582  0.115  1.0
  O  O8  1  0.228  0.228  0.298  1.0
  O  O9  1  0.761  0.761  0.718  1.0
[/CIF]
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