The structure described by MgV2O6 crystallizes in the orthorhombic Pbcn space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing MgO6 octahedra. V(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one V(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. is represented by the CIF card [CIF]
data_MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.805
_cell_length_b   5.568
_cell_length_c   13.592
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   363.649
_cell_formula_units_Z   4
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  0.250  0.184  0.000  1.0
  Mg  Mg1  1  0.750  0.316  0.500  1.0
  Mg  Mg2  1  0.750  0.816  0.000  1.0
  Mg  Mg3  1  0.250  0.684  0.500  1.0
  V  V4  1  0.743  0.316  0.837  1.0
  V  V5  1  0.243  0.184  0.663  1.0
  V  V6  1  0.257  0.184  0.337  1.0
  V  V7  1  0.757  0.316  0.163  1.0
  V  V8  1  0.257  0.684  0.163  1.0
  V  V9  1  0.757  0.816  0.337  1.0
  V  V10  1  0.743  0.816  0.663  1.0
  V  V11  1  0.243  0.684  0.837  1.0
  O  O12  1  0.048  0.401  0.901  1.0
  O  O13  1  0.548  0.099  0.599  1.0
  O  O14  1  0.952  0.099  0.401  1.0
  O  O15  1  0.452  0.401  0.099  1.0
  O  O16  1  0.952  0.599  0.099  1.0
  O  O17  1  0.452  0.901  0.401  1.0
  O  O18  1  0.048  0.901  0.599  1.0
  O  O19  1  0.548  0.599  0.901  1.0
  O  O20  1  0.601  0.120  0.917  1.0
  O  O21  1  0.101  0.380  0.583  1.0
  O  O22  1  0.399  0.380  0.417  1.0
  O  O23  1  0.899  0.120  0.083  1.0
  O  O24  1  0.399  0.880  0.083  1.0
  O  O25  1  0.899  0.620  0.417  1.0
  O  O26  1  0.601  0.620  0.583  1.0
  O  O27  1  0.101  0.880  0.917  1.0
  O  O28  1  0.902  0.137  0.746  1.0
  O  O29  1  0.402  0.363  0.754  1.0
  O  O30  1  0.098  0.363  0.246  1.0
  O  O31  1  0.598  0.137  0.254  1.0
  O  O32  1  0.098  0.863  0.254  1.0
  O  O33  1  0.598  0.637  0.246  1.0
  O  O34  1  0.902  0.637  0.754  1.0
  O  O35  1  0.402  0.863  0.746  1.0
[/CIF]
.
The structure described by MgV2O6 crystallizes in the orthorhombic Pbcn space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing MgO6 octahedra. V(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one V(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. is represented by the CIF card [CIF]
data_MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.805
_cell_length_b   5.568
_cell_length_c   13.592
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   363.649
_cell_formula_units_Z   4
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  0.250  0.184  0.000  1.0
  Mg  Mg1  1  0.750  0.316  0.500  1.0
  Mg  Mg2  1  0.750  0.816  0.000  1.0
  Mg  Mg3  1  0.250  0.684  0.500  1.0
  V  V4  1  0.743  0.316  0.837  1.0
  V  V5  1  0.243  0.184  0.663  1.0
  V  V6  1  0.257  0.184  0.337  1.0
  V  V7  1  0.757  0.316  0.163  1.0
  V  V8  1  0.257  0.684  0.163  1.0
  V  V9  1  0.757  0.816  0.337  1.0
  V  V10  1  0.743  0.816  0.663  1.0
  V  V11  1  0.243  0.684  0.837  1.0
  O  O12  1  0.048  0.401  0.901  1.0
  O  O13  1  0.548  0.099  0.599  1.0
  O  O14  1  0.952  0.099  0.401  1.0
  O  O15  1  0.452  0.401  0.099  1.0
  O  O16  1  0.952  0.599  0.099  1.0
  O  O17  1  0.452  0.901  0.401  1.0
  O  O18  1  0.048  0.901  0.599  1.0
  O  O19  1  0.548  0.599  0.901  1.0
  O  O20  1  0.601  0.120  0.917  1.0
  O  O21  1  0.101  0.380  0.583  1.0
  O  O22  1  0.399  0.380  0.417  1.0
  O  O23  1  0.899  0.120  0.083  1.0
  O  O24  1  0.399  0.880  0.083  1.0
  O  O25  1  0.899  0.620  0.417  1.0
  O  O26  1  0.601  0.620  0.583  1.0
  O  O27  1  0.101  0.880  0.917  1.0
  O  O28  1  0.902  0.137  0.746  1.0
  O  O29  1  0.402  0.363  0.754  1.0
  O  O30  1  0.098  0.363  0.246  1.0
  O  O31  1  0.598  0.137  0.254  1.0
  O  O32  1  0.098  0.863  0.254  1.0
  O  O33  1  0.598  0.637  0.246  1.0
  O  O34  1  0.902  0.637  0.754  1.0
  O  O35  1  0.402  0.863  0.746  1.0
[/CIF]
.