The crystal structure described by MgV2O6 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted trigonal bipyramidal geometry to one O(2) and four equivalent O(1) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a linear geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.482
_cell_length_b   5.482
_cell_length_c   5.645
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.433
_symmetry_Int_Tables_number   1
_cell_volume   141.563
_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  0.810  0.190  0.500  1.0
  V  V1  1  0.687  0.313  0.000  1.0
  V  V2  1  0.315  0.685  0.000  1.0
  O  O3  1  0.513  0.011  0.214  1.0
  O  O4  1  0.989  0.487  0.786  1.0
  O  O5  1  0.499  0.501  0.000  1.0
  O  O6  1  0.989  0.487  0.214  1.0
  O  O7  1  0.513  0.011  0.786  1.0
  O  O8  1  0.011  0.989  0.500  1.0
[/CIF]
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The crystal structure described by MgV2O6 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted trigonal bipyramidal geometry to one O(2) and four equivalent O(1) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a linear geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.482
_cell_length_b   5.482
_cell_length_c   5.645
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.433
_symmetry_Int_Tables_number   1
_cell_volume   141.563
_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  0.810  0.190  0.500  1.0
  V  V1  1  0.687  0.313  0.000  1.0
  V  V2  1  0.315  0.685  0.000  1.0
  O  O3  1  0.513  0.011  0.214  1.0
  O  O4  1  0.989  0.487  0.786  1.0
  O  O5  1  0.499  0.501  0.000  1.0
  O  O6  1  0.989  0.487  0.214  1.0
  O  O7  1  0.513  0.011  0.786  1.0
  O  O8  1  0.011  0.989  0.500  1.0
[/CIF]
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