The compound described by MgV2O6 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing MgO6 octahedra. V(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), and three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Mg(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one V(1) atom. is represented by the CIF card [CIF]
data_MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.960
_cell_length_b   4.960
_cell_length_c   6.721
_cell_angle_alpha   68.944
_cell_angle_beta   68.944
_cell_angle_gamma   40.972
_symmetry_Int_Tables_number   1
_cell_volume   100.132
_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  0.000  0.000  0.500  1.0
  V  V1  1  0.191  0.191  0.846  1.0
  V  V2  1  0.809  0.809  0.154  1.0
  O  O3  1  0.692  0.692  0.937  1.0
  O  O4  1  0.308  0.308  0.063  1.0
  O  O5  1  0.966  0.966  0.219  1.0
  O  O6  1  0.347  0.347  0.613  1.0
  O  O7  1  0.034  0.034  0.781  1.0
  O  O8  1  0.653  0.653  0.387  1.0
[/CIF]
.
The compound described by MgV2O6 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing MgO6 octahedra. V(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), and three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Mg(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one V(1) atom. is represented by the CIF card [CIF]
data_MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.960
_cell_length_b   4.960
_cell_length_c   6.721
_cell_angle_alpha   68.944
_cell_angle_beta   68.944
_cell_angle_gamma   40.972
_symmetry_Int_Tables_number   1
_cell_volume   100.132
_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  0.000  0.000  0.500  1.0
  V  V1  1  0.191  0.191  0.846  1.0
  V  V2  1  0.809  0.809  0.154  1.0
  O  O3  1  0.692  0.692  0.937  1.0
  O  O4  1  0.308  0.308  0.063  1.0
  O  O5  1  0.966  0.966  0.219  1.0
  O  O6  1  0.347  0.347  0.613  1.0
  O  O7  1  0.034  0.034  0.781  1.0
  O  O8  1  0.653  0.653  0.387  1.0
[/CIF]
.