The structure 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 5-coordinate geometry to one O(2), one O(3), 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 bent 150 degrees geometry to one Mg(1) and one V(1) atom. 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 Crystallographic Information File (CIF) [CIF]
data_MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   5.194
_cell_length_c   7.055
_cell_angle_alpha   74.870
_cell_angle_beta   74.870
_cell_angle_gamma   39.796
_symmetry_Int_Tables_number   1
_cell_volume   117.027
_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  0.221  0.221  0.823  1.0
  V  V2  1  0.779  0.779  0.177  1.0
  O  O3  1  0.713  0.713  0.917  1.0
  O  O4  1  0.287  0.287  0.083  1.0
  O  O5  1  0.924  0.924  0.260  1.0
  O  O6  1  0.367  0.367  0.623  1.0
  O  O7  1  0.076  0.076  0.740  1.0
  O  O8  1  0.633  0.633  0.377  1.0
[/CIF]
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The structure 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 5-coordinate geometry to one O(2), one O(3), 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 bent 150 degrees geometry to one Mg(1) and one V(1) atom. 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 Crystallographic Information File (CIF) [CIF]
data_MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   5.194
_cell_length_c   7.055
_cell_angle_alpha   74.870
_cell_angle_beta   74.870
_cell_angle_gamma   39.796
_symmetry_Int_Tables_number   1
_cell_volume   117.027
_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  0.221  0.221  0.823  1.0
  V  V2  1  0.779  0.779  0.177  1.0
  O  O3  1  0.713  0.713  0.917  1.0
  O  O4  1  0.287  0.287  0.083  1.0
  O  O5  1  0.924  0.924  0.260  1.0
  O  O6  1  0.367  0.367  0.623  1.0
  O  O7  1  0.076  0.076  0.740  1.0
  O  O8  1  0.633  0.633  0.377  1.0
[/CIF]
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