The structure described by MgV4O8 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a see-saw-like geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 6-39°. In the second V site, V(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a see-saw-like geometry to two equivalent Mg(1) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a square co-planar geometry to two equivalent V(1) and two equivalent V(2) atoms. is represented by the CIF file [CIF]
data_MgV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.069
_cell_length_b   5.049
_cell_length_c   10.633
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.504
_symmetry_Int_Tables_number   1
_cell_volume   157.124
_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  0.732  0.465  0.750  1.0
  V  V1  1  0.858  0.717  0.089  1.0
  V  V2  1  0.124  0.243  0.960  1.0
  V  V3  1  0.858  0.717  0.411  1.0
  V  V4  1  0.124  0.243  0.540  1.0
  O  O5  1  0.236  0.470  0.386  1.0
  O  O6  1  0.760  0.519  0.574  1.0
  O  O7  1  0.760  0.519  0.926  1.0
  O  O8  1  0.236  0.470  0.114  1.0
  O  O9  1  0.919  0.842  0.250  1.0
  O  O10  1  0.111  0.219  0.750  1.0
  O  O11  1  0.484  0.970  0.016  1.0
  O  O12  1  0.484  0.970  0.484  1.0
[/CIF]
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The structure described by MgV4O8 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a see-saw-like geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 6-39°. In the second V site, V(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a see-saw-like geometry to two equivalent Mg(1) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a square co-planar geometry to two equivalent V(1) and two equivalent V(2) atoms. is represented by the CIF file [CIF]
data_MgV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.069
_cell_length_b   5.049
_cell_length_c   10.633
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.504
_symmetry_Int_Tables_number   1
_cell_volume   157.124
_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  0.732  0.465  0.750  1.0
  V  V1  1  0.858  0.717  0.089  1.0
  V  V2  1  0.124  0.243  0.960  1.0
  V  V3  1  0.858  0.717  0.411  1.0
  V  V4  1  0.124  0.243  0.540  1.0
  O  O5  1  0.236  0.470  0.386  1.0
  O  O6  1  0.760  0.519  0.574  1.0
  O  O7  1  0.760  0.519  0.926  1.0
  O  O8  1  0.236  0.470  0.114  1.0
  O  O9  1  0.919  0.842  0.250  1.0
  O  O10  1  0.111  0.219  0.750  1.0
  O  O11  1  0.484  0.970  0.016  1.0
  O  O12  1  0.484  0.970  0.484  1.0
[/CIF]
.