The compound described by MgV3O8 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and  a cornercorner with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-53°. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-67°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. 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 bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mg(1) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.833
_cell_length_b   6.833
_cell_length_c   13.956
_cell_angle_alpha   81.445
_cell_angle_beta   81.445
_cell_angle_gamma   78.984
_symmetry_Int_Tables_number   1
_cell_volume   627.668
_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  0.149  0.287  0.145  1.0
  Mg  Mg1  1  0.713  0.851  0.355  1.0
  Mg  Mg2  1  0.287  0.149  0.645  1.0
  Mg  Mg3  1  0.851  0.713  0.855  1.0
  V  V4  1  0.266  0.765  0.112  1.0
  V  V5  1  0.235  0.734  0.388  1.0
  V  V6  1  0.171  0.672  0.646  1.0
  V  V7  1  0.787  0.651  0.134  1.0
  V  V8  1  0.328  0.829  0.854  1.0
  V  V9  1  0.349  0.213  0.366  1.0
  V  V10  1  0.651  0.787  0.634  1.0
  V  V11  1  0.672  0.171  0.146  1.0
  V  V12  1  0.213  0.349  0.866  1.0
  V  V13  1  0.829  0.328  0.354  1.0
  V  V14  1  0.765  0.266  0.612  1.0
  V  V15  1  0.734  0.235  0.888  1.0
  O  O16  1  0.090  0.598  0.142  1.0
  O  O17  1  0.012  0.830  0.351  1.0
  O  O18  1  0.333  0.508  0.347  1.0
  O  O19  1  0.183  0.673  0.520  1.0
  O  O20  1  0.492  0.667  0.153  1.0
  O  O21  1  0.170  0.988  0.149  1.0
  O  O22  1  0.167  0.657  0.842  1.0
  O  O23  1  0.083  0.248  0.312  1.0
  O  O24  1  0.754  0.572  0.307  1.0
  O  O25  1  0.402  0.910  0.358  1.0
  O  O26  1  0.194  0.306  0.988  1.0
  O  O27  1  0.806  0.694  0.012  1.0
  O  O28  1  0.343  0.833  0.658  1.0
  O  O29  1  0.327  0.817  0.980  1.0
  O  O30  1  0.248  0.083  0.812  1.0
  O  O31  1  0.572  0.754  0.807  1.0
  O  O32  1  0.306  0.194  0.488  1.0
  O  O33  1  0.694  0.806  0.512  1.0
  O  O34  1  0.752  0.917  0.188  1.0
  O  O35  1  0.428  0.246  0.193  1.0
  O  O36  1  0.673  0.183  0.020  1.0
  O  O37  1  0.657  0.167  0.342  1.0
  O  O38  1  0.598  0.090  0.642  1.0
  O  O39  1  0.246  0.428  0.693  1.0
  O  O40  1  0.917  0.752  0.688  1.0
  O  O41  1  0.833  0.343  0.158  1.0
  O  O42  1  0.508  0.333  0.847  1.0
  O  O43  1  0.830  0.012  0.851  1.0
  O  O44  1  0.817  0.327  0.480  1.0
  O  O45  1  0.667  0.492  0.653  1.0
  O  O46  1  0.988  0.170  0.649  1.0
  O  O47  1  0.910  0.402  0.858  1.0
[/CIF]
.
The compound described by MgV3O8 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and  a cornercorner with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-53°. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-67°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. 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 bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mg(1) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.833
_cell_length_b   6.833
_cell_length_c   13.956
_cell_angle_alpha   81.445
_cell_angle_beta   81.445
_cell_angle_gamma   78.984
_symmetry_Int_Tables_number   1
_cell_volume   627.668
_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  0.149  0.287  0.145  1.0
  Mg  Mg1  1  0.713  0.851  0.355  1.0
  Mg  Mg2  1  0.287  0.149  0.645  1.0
  Mg  Mg3  1  0.851  0.713  0.855  1.0
  V  V4  1  0.266  0.765  0.112  1.0
  V  V5  1  0.235  0.734  0.388  1.0
  V  V6  1  0.171  0.672  0.646  1.0
  V  V7  1  0.787  0.651  0.134  1.0
  V  V8  1  0.328  0.829  0.854  1.0
  V  V9  1  0.349  0.213  0.366  1.0
  V  V10  1  0.651  0.787  0.634  1.0
  V  V11  1  0.672  0.171  0.146  1.0
  V  V12  1  0.213  0.349  0.866  1.0
  V  V13  1  0.829  0.328  0.354  1.0
  V  V14  1  0.765  0.266  0.612  1.0
  V  V15  1  0.734  0.235  0.888  1.0
  O  O16  1  0.090  0.598  0.142  1.0
  O  O17  1  0.012  0.830  0.351  1.0
  O  O18  1  0.333  0.508  0.347  1.0
  O  O19  1  0.183  0.673  0.520  1.0
  O  O20  1  0.492  0.667  0.153  1.0
  O  O21  1  0.170  0.988  0.149  1.0
  O  O22  1  0.167  0.657  0.842  1.0
  O  O23  1  0.083  0.248  0.312  1.0
  O  O24  1  0.754  0.572  0.307  1.0
  O  O25  1  0.402  0.910  0.358  1.0
  O  O26  1  0.194  0.306  0.988  1.0
  O  O27  1  0.806  0.694  0.012  1.0
  O  O28  1  0.343  0.833  0.658  1.0
  O  O29  1  0.327  0.817  0.980  1.0
  O  O30  1  0.248  0.083  0.812  1.0
  O  O31  1  0.572  0.754  0.807  1.0
  O  O32  1  0.306  0.194  0.488  1.0
  O  O33  1  0.694  0.806  0.512  1.0
  O  O34  1  0.752  0.917  0.188  1.0
  O  O35  1  0.428  0.246  0.193  1.0
  O  O36  1  0.673  0.183  0.020  1.0
  O  O37  1  0.657  0.167  0.342  1.0
  O  O38  1  0.598  0.090  0.642  1.0
  O  O39  1  0.246  0.428  0.693  1.0
  O  O40  1  0.917  0.752  0.688  1.0
  O  O41  1  0.833  0.343  0.158  1.0
  O  O42  1  0.508  0.333  0.847  1.0
  O  O43  1  0.830  0.012  0.851  1.0
  O  O44  1  0.817  0.327  0.480  1.0
  O  O45  1  0.667  0.492  0.653  1.0
  O  O46  1  0.988  0.170  0.649  1.0
  O  O47  1  0.910  0.402  0.858  1.0
[/CIF]
.