The material 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 V(1)O6 octahedra, edges with six equivalent Ti(1)O6 octahedra, and faces with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with nine equivalent V(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. O(1) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing OMgTi2V2 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgTi2V2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.980
_cell_length_c   5.980
_cell_angle_alpha   51.235
_cell_angle_beta   51.235
_cell_angle_gamma   51.235
_symmetry_Int_Tables_number   1
_cell_volume   119.967
_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  0.500  0.500  1.0
  Ti  Ti1  1  0.151  0.151  0.151  1.0
  Ti  Ti2  1  0.849  0.849  0.849  1.0
  V  V3  1  0.330  0.330  0.330  1.0
  V  V4  1  0.670  0.670  0.670  1.0
  O  O5  1  0.089  0.741  0.443  1.0
  O  O6  1  0.443  0.089  0.741  1.0
  O  O7  1  0.741  0.443  0.089  1.0
  O  O8  1  0.259  0.557  0.911  1.0
  O  O9  1  0.557  0.911  0.259  1.0
  O  O10  1  0.911  0.259  0.557  1.0
[/CIF]
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The material 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 V(1)O6 octahedra, edges with six equivalent Ti(1)O6 octahedra, and faces with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with nine equivalent V(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. O(1) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing OMgTi2V2 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgTi2V2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.980
_cell_length_c   5.980
_cell_angle_alpha   51.235
_cell_angle_beta   51.235
_cell_angle_gamma   51.235
_symmetry_Int_Tables_number   1
_cell_volume   119.967
_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  0.500  0.500  1.0
  Ti  Ti1  1  0.151  0.151  0.151  1.0
  Ti  Ti2  1  0.849  0.849  0.849  1.0
  V  V3  1  0.330  0.330  0.330  1.0
  V  V4  1  0.670  0.670  0.670  1.0
  O  O5  1  0.089  0.741  0.443  1.0
  O  O6  1  0.443  0.089  0.741  1.0
  O  O7  1  0.741  0.443  0.089  1.0
  O  O8  1  0.259  0.557  0.911  1.0
  O  O9  1  0.557  0.911  0.259  1.0
  O  O10  1  0.911  0.259  0.557  1.0
[/CIF]
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