The material structure described by LiTiV3O10 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and edges with two equivalent V(2)O5 trigonal bipyramids. Ti(1) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form TiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Ti(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one V(2) atom. is represented by the CIF file [CIF]
data_LiTiV3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.637
_cell_length_c   4.653
_cell_angle_alpha   88.535
_cell_angle_beta   88.535
_cell_angle_gamma   90.724
_symmetry_Int_Tables_number   1
_cell_volume   204.793
_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
  Li  Li0  1  1.000  0.000  0.000  1.0
  Ti  Ti1  1  0.250  0.750  0.500  1.0
  V  V2  1  0.751  0.249  0.500  1.0
  V  V3  1  0.250  0.250  0.379  1.0
  V  V4  1  0.750  0.750  0.621  1.0
  O  O5  1  0.757  0.466  0.702  1.0
  O  O6  1  0.235  0.235  0.730  1.0
  O  O7  1  0.534  0.243  0.298  1.0
  O  O8  1  0.963  0.240  0.269  1.0
  O  O9  1  0.760  0.037  0.731  1.0
  O  O10  1  0.236  0.977  0.267  1.0
  O  O11  1  0.023  0.764  0.733  1.0
  O  O12  1  0.481  0.755  0.708  1.0
  O  O13  1  0.765  0.765  0.270  1.0
  O  O14  1  0.245  0.519  0.292  1.0
[/CIF]
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The material structure described by LiTiV3O10 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and edges with two equivalent V(2)O5 trigonal bipyramids. Ti(1) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form TiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Ti(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one V(2) atom. is represented by the CIF file [CIF]
data_LiTiV3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.637
_cell_length_c   4.653
_cell_angle_alpha   88.535
_cell_angle_beta   88.535
_cell_angle_gamma   90.724
_symmetry_Int_Tables_number   1
_cell_volume   204.793
_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
  Li  Li0  1  1.000  0.000  0.000  1.0
  Ti  Ti1  1  0.250  0.750  0.500  1.0
  V  V2  1  0.751  0.249  0.500  1.0
  V  V3  1  0.250  0.250  0.379  1.0
  V  V4  1  0.750  0.750  0.621  1.0
  O  O5  1  0.757  0.466  0.702  1.0
  O  O6  1  0.235  0.235  0.730  1.0
  O  O7  1  0.534  0.243  0.298  1.0
  O  O8  1  0.963  0.240  0.269  1.0
  O  O9  1  0.760  0.037  0.731  1.0
  O  O10  1  0.236  0.977  0.267  1.0
  O  O11  1  0.023  0.764  0.733  1.0
  O  O12  1  0.481  0.755  0.708  1.0
  O  O13  1  0.765  0.765  0.270  1.0
  O  O14  1  0.245  0.519  0.292  1.0
[/CIF]
.