The crystal structure described by MgV3O8 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form MgO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  a cornercorner with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-54°. In the second V site, V(2) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form VO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-70°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Mg(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent V(3) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF card [CIF]
data_MgV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.735
_cell_length_b   6.735
_cell_length_c   7.678
_cell_angle_alpha   67.446
_cell_angle_beta   67.446
_cell_angle_gamma   79.495
_symmetry_Int_Tables_number   1
_cell_volume   296.828
_cell_formula_units_Z   2
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  0.933  0.304  0.700  1.0
  Mg  Mg1  1  0.696  0.067  0.300  1.0
  V  V2  1  0.378  0.376  0.780  1.0
  V  V3  1  0.624  0.622  0.220  1.0
  V  V4  1  0.823  0.812  0.704  1.0
  V  V5  1  0.188  0.177  0.296  1.0
  V  V6  1  0.280  0.924  0.729  1.0
  V  V7  1  0.076  0.720  0.271  1.0
  O  O8  1  0.802  0.198  0.000  1.0
  O  O9  1  0.185  0.815  0.000  1.0
  O  O10  1  0.991  0.994  0.688  1.0
  O  O11  1  0.006  0.009  0.312  1.0
  O  O12  1  0.240  0.228  0.720  1.0
  O  O13  1  0.772  0.760  0.280  1.0
  O  O14  1  0.955  0.632  0.583  1.0
  O  O15  1  0.601  0.930  0.640  1.0
  O  O16  1  0.070  0.399  0.360  1.0
  O  O17  1  0.368  0.045  0.417  1.0
  O  O18  1  0.295  0.638  0.719  1.0
  O  O19  1  0.639  0.349  0.679  1.0
  O  O20  1  0.651  0.361  0.321  1.0
  O  O21  1  0.362  0.705  0.281  1.0
  O  O22  1  0.726  0.662  0.954  1.0
  O  O23  1  0.338  0.274  0.046  1.0
[/CIF]
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The crystal structure described by MgV3O8 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form MgO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  a cornercorner with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-54°. In the second V site, V(2) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form VO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-70°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Mg(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent V(3) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF card [CIF]
data_MgV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.735
_cell_length_b   6.735
_cell_length_c   7.678
_cell_angle_alpha   67.446
_cell_angle_beta   67.446
_cell_angle_gamma   79.495
_symmetry_Int_Tables_number   1
_cell_volume   296.828
_cell_formula_units_Z   2
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  0.933  0.304  0.700  1.0
  Mg  Mg1  1  0.696  0.067  0.300  1.0
  V  V2  1  0.378  0.376  0.780  1.0
  V  V3  1  0.624  0.622  0.220  1.0
  V  V4  1  0.823  0.812  0.704  1.0
  V  V5  1  0.188  0.177  0.296  1.0
  V  V6  1  0.280  0.924  0.729  1.0
  V  V7  1  0.076  0.720  0.271  1.0
  O  O8  1  0.802  0.198  0.000  1.0
  O  O9  1  0.185  0.815  0.000  1.0
  O  O10  1  0.991  0.994  0.688  1.0
  O  O11  1  0.006  0.009  0.312  1.0
  O  O12  1  0.240  0.228  0.720  1.0
  O  O13  1  0.772  0.760  0.280  1.0
  O  O14  1  0.955  0.632  0.583  1.0
  O  O15  1  0.601  0.930  0.640  1.0
  O  O16  1  0.070  0.399  0.360  1.0
  O  O17  1  0.368  0.045  0.417  1.0
  O  O18  1  0.295  0.638  0.719  1.0
  O  O19  1  0.639  0.349  0.679  1.0
  O  O20  1  0.651  0.361  0.321  1.0
  O  O21  1  0.362  0.705  0.281  1.0
  O  O22  1  0.726  0.662  0.954  1.0
  O  O23  1  0.338  0.274  0.046  1.0
[/CIF]
.