The crystal structure described by MgTiV3O8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a see-saw-like geometry to one O(7), one O(8), and two equivalent O(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(8), and two equivalent O(2) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 13-26°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the second O site, O(2) is bonded to two equivalent Ti(1), one V(1), and one V(3) atom to form corner-sharing OTi2V2 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(2), and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(1), and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_MgTiV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.436
_cell_length_b   6.436
_cell_length_c   6.752
_cell_angle_alpha   74.311
_cell_angle_beta   105.689
_cell_angle_gamma   144.510
_symmetry_Int_Tables_number   1
_cell_volume   155.681
_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  0.903  0.097  0.994  1.0
  Ti  Ti1  1  0.699  0.301  0.269  1.0
  V  V2  1  0.405  0.595  0.319  1.0
  V  V3  1  0.613  0.387  0.695  1.0
  V  V4  1  0.302  0.698  0.689  1.0
  O  O5  1  0.150  0.850  0.707  1.0
  O  O6  1  0.239  0.761  0.354  1.0
  O  O7  1  0.385  0.615  0.987  1.0
  O  O8  1  0.441  0.559  0.626  1.0
  O  O9  1  0.574  0.426  0.382  1.0
  O  O10  1  0.635  0.365  0.007  1.0
  O  O11  1  0.789  0.211  0.705  1.0
  O  O12  1  0.867  0.133  0.267  1.0
[/CIF]
.
The crystal structure described by MgTiV3O8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a see-saw-like geometry to one O(7), one O(8), and two equivalent O(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(8), and two equivalent O(2) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 13-26°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the second O site, O(2) is bonded to two equivalent Ti(1), one V(1), and one V(3) atom to form corner-sharing OTi2V2 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(2), and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(1), and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_MgTiV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.436
_cell_length_b   6.436
_cell_length_c   6.752
_cell_angle_alpha   74.311
_cell_angle_beta   105.689
_cell_angle_gamma   144.510
_symmetry_Int_Tables_number   1
_cell_volume   155.681
_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  0.903  0.097  0.994  1.0
  Ti  Ti1  1  0.699  0.301  0.269  1.0
  V  V2  1  0.405  0.595  0.319  1.0
  V  V3  1  0.613  0.387  0.695  1.0
  V  V4  1  0.302  0.698  0.689  1.0
  O  O5  1  0.150  0.850  0.707  1.0
  O  O6  1  0.239  0.761  0.354  1.0
  O  O7  1  0.385  0.615  0.987  1.0
  O  O8  1  0.441  0.559  0.626  1.0
  O  O9  1  0.574  0.426  0.382  1.0
  O  O10  1  0.635  0.365  0.007  1.0
  O  O11  1  0.789  0.211  0.705  1.0
  O  O12  1  0.867  0.133  0.267  1.0
[/CIF]
.