The compound described by MgTiVO4 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-58°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Mg(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one V(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_MgTiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.027
_cell_length_b   5.338
_cell_length_c   5.338
_cell_angle_alpha   74.187
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   82.986
_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  0.500  0.798  0.798  1.0
  Ti  Ti1  1  0.500  0.467  0.467  1.0
  V  V2  1  0.000  0.085  0.085  1.0
  O  O3  1  0.000  0.324  0.324  1.0
  O  O4  1  0.500  0.794  0.184  1.0
  O  O5  1  0.500  0.184  0.794  1.0
  O  O6  1  0.000  0.649  0.649  1.0
[/CIF]
.
The compound described by MgTiVO4 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-58°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Mg(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one V(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_MgTiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.027
_cell_length_b   5.338
_cell_length_c   5.338
_cell_angle_alpha   74.187
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   82.986
_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  0.500  0.798  0.798  1.0
  Ti  Ti1  1  0.500  0.467  0.467  1.0
  V  V2  1  0.000  0.085  0.085  1.0
  O  O3  1  0.000  0.324  0.324  1.0
  O  O4  1  0.500  0.794  0.184  1.0
  O  O5  1  0.500  0.184  0.794  1.0
  O  O6  1  0.000  0.649  0.649  1.0
[/CIF]
.