The structure described by MgV5O12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent V(3)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-51°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing VO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 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 single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to 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(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(3) atom. is represented by the CIF file [CIF]
data_MgV5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.888
_cell_length_b   6.888
_cell_length_c   5.916
_cell_angle_alpha   73.063
_cell_angle_beta   106.937
_cell_angle_gamma   101.573
_symmetry_Int_Tables_number   1
_cell_volume   254.807
_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  0.735  0.735  0.750  1.0
  V  V1  1  0.192  0.612  0.771  1.0
  V  V2  1  0.386  0.797  0.285  1.0
  V  V3  1  0.612  0.192  0.729  1.0
  V  V4  1  0.797  0.386  0.215  1.0
  V  V5  1  0.927  0.927  0.250  1.0
  O  O6  1  0.993  0.764  0.634  1.0
  O  O7  1  0.087  0.377  0.790  1.0
  O  O8  1  0.223  0.969  0.209  1.0
  O  O9  1  0.396  0.664  0.604  1.0
  O  O10  1  0.377  0.087  0.710  1.0
  O  O11  1  0.322  0.635  0.078  1.0
  O  O12  1  0.664  0.396  0.896  1.0
  O  O13  1  0.641  0.897  0.328  1.0
  O  O14  1  0.635  0.322  0.422  1.0
  O  O15  1  0.764  0.993  0.866  1.0
  O  O16  1  0.897  0.641  0.172  1.0
  O  O17  1  0.969  0.223  0.291  1.0
[/CIF]
.
The structure described by MgV5O12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent V(3)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-51°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing VO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 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 single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to 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(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(3) atom. is represented by the CIF file [CIF]
data_MgV5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.888
_cell_length_b   6.888
_cell_length_c   5.916
_cell_angle_alpha   73.063
_cell_angle_beta   106.937
_cell_angle_gamma   101.573
_symmetry_Int_Tables_number   1
_cell_volume   254.807
_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  0.735  0.735  0.750  1.0
  V  V1  1  0.192  0.612  0.771  1.0
  V  V2  1  0.386  0.797  0.285  1.0
  V  V3  1  0.612  0.192  0.729  1.0
  V  V4  1  0.797  0.386  0.215  1.0
  V  V5  1  0.927  0.927  0.250  1.0
  O  O6  1  0.993  0.764  0.634  1.0
  O  O7  1  0.087  0.377  0.790  1.0
  O  O8  1  0.223  0.969  0.209  1.0
  O  O9  1  0.396  0.664  0.604  1.0
  O  O10  1  0.377  0.087  0.710  1.0
  O  O11  1  0.322  0.635  0.078  1.0
  O  O12  1  0.664  0.396  0.896  1.0
  O  O13  1  0.641  0.897  0.328  1.0
  O  O14  1  0.635  0.322  0.422  1.0
  O  O15  1  0.764  0.993  0.866  1.0
  O  O16  1  0.897  0.641  0.172  1.0
  O  O17  1  0.969  0.223  0.291  1.0
[/CIF]
.