The compound described by MgV2MnO6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(1) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-33°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with three equivalent V(2)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 30°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with three equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 29°. Mn(1) is bonded in a distorted pentagonal planar geometry to one O(1), one O(4), one O(5), and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one V(1), and one Mn(1) atom to form distorted OMg2MnV trigonal pyramids that share corners with two equivalent O(1)Mg2MnV trigonal pyramids, corners with two equivalent O(5)MnV3 trigonal pyramids, edges with two equivalent O(2)MgMn2V trigonal pyramids, and edges with two equivalent O(6)MgV3 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one V(2), and two equivalent Mn(1) atoms to form distorted OMgMn2V trigonal pyramids that share corners with two equivalent O(2)MgMn2V trigonal pyramids, corners with two equivalent O(6)MgV3 trigonal pyramids, edges with two equivalent O(1)Mg2MnV trigonal pyramids, and edges with two equivalent O(5)MnV3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Mn(1) atom. In the fifth O site, O(5) is bonded to one V(1), two equivalent V(2), and one Mn(1) atom to form OMnV3 trigonal pyramids that share corners with two equivalent O(1)Mg2MnV trigonal pyramids, corners with two equivalent O(5)MnV3 trigonal pyramids, edges with two equivalent O(2)MgMn2V trigonal pyramids, and edges with two equivalent O(6)MgV3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one V(2), and two equivalent V(1) atoms to form OMgV3 trigonal pyramids that share corners with two equivalent O(2)MgMn2V trigonal pyramids, corners with two equivalent O(6)MgV3 trigonal pyramids, edges with two equivalent O(1)Mg2MnV trigonal pyramids, and edges with two equivalent O(5)MnV3 trigonal pyramids. is represented by the CIF file [CIF]
data_MgMnV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.898
_cell_length_b   5.249
_cell_length_c   6.841
_cell_angle_alpha   90.849
_cell_angle_beta   89.996
_cell_angle_gamma   111.783
_symmetry_Int_Tables_number   1
_cell_volume   129.950
_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  0.225  0.450  0.162  1.0
  Mn  Mn1  1  0.839  0.677  0.871  1.0
  V  V2  1  0.889  0.776  0.411  1.0
  V  V3  1  0.171  0.342  0.608  1.0
  O  O4  1  0.790  0.580  0.166  1.0
  O  O5  1  0.255  0.510  0.866  1.0
  O  O6  1  0.061  0.121  0.329  1.0
  O  O7  1  0.997  0.994  0.682  1.0
  O  O8  1  0.721  0.442  0.590  1.0
  O  O9  1  0.337  0.672  0.427  1.0
[/CIF]
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The compound described by MgV2MnO6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(1) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-33°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with three equivalent V(2)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 30°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with three equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 29°. Mn(1) is bonded in a distorted pentagonal planar geometry to one O(1), one O(4), one O(5), and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one V(1), and one Mn(1) atom to form distorted OMg2MnV trigonal pyramids that share corners with two equivalent O(1)Mg2MnV trigonal pyramids, corners with two equivalent O(5)MnV3 trigonal pyramids, edges with two equivalent O(2)MgMn2V trigonal pyramids, and edges with two equivalent O(6)MgV3 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one V(2), and two equivalent Mn(1) atoms to form distorted OMgMn2V trigonal pyramids that share corners with two equivalent O(2)MgMn2V trigonal pyramids, corners with two equivalent O(6)MgV3 trigonal pyramids, edges with two equivalent O(1)Mg2MnV trigonal pyramids, and edges with two equivalent O(5)MnV3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Mn(1) atom. In the fifth O site, O(5) is bonded to one V(1), two equivalent V(2), and one Mn(1) atom to form OMnV3 trigonal pyramids that share corners with two equivalent O(1)Mg2MnV trigonal pyramids, corners with two equivalent O(5)MnV3 trigonal pyramids, edges with two equivalent O(2)MgMn2V trigonal pyramids, and edges with two equivalent O(6)MgV3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one V(2), and two equivalent V(1) atoms to form OMgV3 trigonal pyramids that share corners with two equivalent O(2)MgMn2V trigonal pyramids, corners with two equivalent O(6)MgV3 trigonal pyramids, edges with two equivalent O(1)Mg2MnV trigonal pyramids, and edges with two equivalent O(5)MnV3 trigonal pyramids. is represented by the CIF file [CIF]
data_MgMnV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.898
_cell_length_b   5.249
_cell_length_c   6.841
_cell_angle_alpha   90.849
_cell_angle_beta   89.996
_cell_angle_gamma   111.783
_symmetry_Int_Tables_number   1
_cell_volume   129.950
_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  0.225  0.450  0.162  1.0
  Mn  Mn1  1  0.839  0.677  0.871  1.0
  V  V2  1  0.889  0.776  0.411  1.0
  V  V3  1  0.171  0.342  0.608  1.0
  O  O4  1  0.790  0.580  0.166  1.0
  O  O5  1  0.255  0.510  0.866  1.0
  O  O6  1  0.061  0.121  0.329  1.0
  O  O7  1  0.997  0.994  0.682  1.0
  O  O8  1  0.721  0.442  0.590  1.0
  O  O9  1  0.337  0.672  0.427  1.0
[/CIF]
.