The structure described by MgTiVO4 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with four equivalent V(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and faces with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with eight equivalent V(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with eight equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Ti(1), and one V(1) atom to form distorted OMgTi2V trigonal pyramids that share corners with four equivalent O(2)Mg2TiV2 trigonal bipyramids, corners with six equivalent O(1)MgTi2V trigonal pyramids, edges with four equivalent O(2)Mg2TiV2 trigonal bipyramids, and  an edgeedge with one O(1)MgTi2V trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent V(1) atoms to form distorted OMg2TiV2 trigonal bipyramids that share corners with five equivalent O(2)Mg2TiV2 trigonal bipyramids, corners with four equivalent O(1)MgTi2V trigonal pyramids, edges with four equivalent O(2)Mg2TiV2 trigonal bipyramids, and edges with four equivalent O(1)MgTi2V trigonal pyramids. is represented by the CIF card [CIF]
data_MgTiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.983
_cell_length_b   5.047
_cell_length_c   5.188
_cell_angle_alpha   89.921
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   78.098
_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  0.033  0.000  0.500  1.0
  Ti  Ti1  1  0.533  0.500  0.500  1.0
  V  V2  1  0.033  0.000  0.000  1.0
  O  O3  1  0.033  0.335  0.301  1.0
  O  O4  1  0.533  0.830  0.270  1.0
  O  O5  1  0.533  0.170  0.730  1.0
  O  O6  1  0.033  0.665  0.699  1.0
[/CIF]
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The structure described by MgTiVO4 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with four equivalent V(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and faces with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with eight equivalent V(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with eight equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Ti(1), and one V(1) atom to form distorted OMgTi2V trigonal pyramids that share corners with four equivalent O(2)Mg2TiV2 trigonal bipyramids, corners with six equivalent O(1)MgTi2V trigonal pyramids, edges with four equivalent O(2)Mg2TiV2 trigonal bipyramids, and  an edgeedge with one O(1)MgTi2V trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent V(1) atoms to form distorted OMg2TiV2 trigonal bipyramids that share corners with five equivalent O(2)Mg2TiV2 trigonal bipyramids, corners with four equivalent O(1)MgTi2V trigonal pyramids, edges with four equivalent O(2)Mg2TiV2 trigonal bipyramids, and edges with four equivalent O(1)MgTi2V trigonal pyramids. is represented by the CIF card [CIF]
data_MgTiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.983
_cell_length_b   5.047
_cell_length_c   5.188
_cell_angle_alpha   89.921
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   78.098
_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  0.033  0.000  0.500  1.0
  Ti  Ti1  1  0.533  0.500  0.500  1.0
  V  V2  1  0.033  0.000  0.000  1.0
  O  O3  1  0.033  0.335  0.301  1.0
  O  O4  1  0.533  0.830  0.270  1.0
  O  O5  1  0.533  0.170  0.730  1.0
  O  O6  1  0.033  0.665  0.699  1.0
[/CIF]
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