The crystal structure described by MgTi2V2O6 crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with six equivalent V(1)O6 octahedra, and faces with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent V(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. O(1) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OMgTi2V2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2V2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.887
_cell_length_b   5.887
_cell_length_c   5.887
_cell_angle_alpha   52.541
_cell_angle_beta   52.541
_cell_angle_gamma   52.541
_symmetry_Int_Tables_number   1
_cell_volume   119.034
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.173  0.173  0.173  1.0
  Ti  Ti2  1  0.827  0.827  0.827  1.0
  V  V3  1  0.348  0.348  0.348  1.0
  V  V4  1  0.652  0.652  0.652  1.0
  O  O5  1  0.052  0.781  0.414  1.0
  O  O6  1  0.414  0.052  0.781  1.0
  O  O7  1  0.781  0.414  0.052  1.0
  O  O8  1  0.219  0.586  0.948  1.0
  O  O9  1  0.586  0.948  0.219  1.0
  O  O10  1  0.948  0.219  0.586  1.0
[/CIF]
.
The crystal structure described by MgTi2V2O6 crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with six equivalent V(1)O6 octahedra, and faces with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent V(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. O(1) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OMgTi2V2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2V2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.887
_cell_length_b   5.887
_cell_length_c   5.887
_cell_angle_alpha   52.541
_cell_angle_beta   52.541
_cell_angle_gamma   52.541
_symmetry_Int_Tables_number   1
_cell_volume   119.034
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.173  0.173  0.173  1.0
  Ti  Ti2  1  0.827  0.827  0.827  1.0
  V  V3  1  0.348  0.348  0.348  1.0
  V  V4  1  0.652  0.652  0.652  1.0
  O  O5  1  0.052  0.781  0.414  1.0
  O  O6  1  0.414  0.052  0.781  1.0
  O  O7  1  0.781  0.414  0.052  1.0
  O  O8  1  0.219  0.586  0.948  1.0
  O  O9  1  0.586  0.948  0.219  1.0
  O  O10  1  0.948  0.219  0.586  1.0
[/CIF]
.