The material described by LiTi2V3O10 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the second Ti site, Ti(2) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-18°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Ti(1), one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Ti(2), one V(1), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Li(1), one Ti(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Ti(1), one V(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Ti(2), one V(1), one V(2), and one V(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(1), and one Ti(2) atom. In the tenth O site, O(10) is bonded in a see-saw-like geometry to one Ti(2), one V(1), one V(2), and one V(3) atom. is represented by the CIF card [CIF]
data_LiTi2V3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   5.146
_cell_length_c   7.816
_cell_angle_alpha   74.427
_cell_angle_beta   76.121
_cell_angle_gamma   79.233
_symmetry_Int_Tables_number   1
_cell_volume   190.388
_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  0.498  0.300  0.546  1.0
  O  O1  1  0.222  0.964  0.862  1.0
  O  O2  1  0.796  0.920  0.527  1.0
  O  O3  1  0.792  0.671  0.935  1.0
  O  O4  1  0.246  0.795  0.218  1.0
  O  O5  1  0.192  0.521  0.690  1.0
  O  O6  1  0.806  0.459  0.322  1.0
  O  O7  1  0.739  0.206  0.786  1.0
  O  O8  1  0.197  0.327  0.064  1.0
  O  O9  1  0.240  0.090  0.479  1.0
  O  O10  1  0.779  0.036  0.129  1.0
  Ti  Ti11  1  0.038  0.873  0.687  1.0
  Ti  Ti12  1  0.021  0.089  0.324  1.0
  V  V13  1  0.491  0.993  0.003  1.0
  V  V14  1  0.971  0.307  0.890  1.0
  V  V15  1  0.980  0.668  0.131  1.0
[/CIF]
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The material described by LiTi2V3O10 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the second Ti site, Ti(2) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-18°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Ti(1), one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Ti(2), one V(1), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Li(1), one Ti(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Ti(1), one V(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Ti(2), one V(1), one V(2), and one V(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(1), and one Ti(2) atom. In the tenth O site, O(10) is bonded in a see-saw-like geometry to one Ti(2), one V(1), one V(2), and one V(3) atom. is represented by the CIF card [CIF]
data_LiTi2V3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   5.146
_cell_length_c   7.816
_cell_angle_alpha   74.427
_cell_angle_beta   76.121
_cell_angle_gamma   79.233
_symmetry_Int_Tables_number   1
_cell_volume   190.388
_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  0.498  0.300  0.546  1.0
  O  O1  1  0.222  0.964  0.862  1.0
  O  O2  1  0.796  0.920  0.527  1.0
  O  O3  1  0.792  0.671  0.935  1.0
  O  O4  1  0.246  0.795  0.218  1.0
  O  O5  1  0.192  0.521  0.690  1.0
  O  O6  1  0.806  0.459  0.322  1.0
  O  O7  1  0.739  0.206  0.786  1.0
  O  O8  1  0.197  0.327  0.064  1.0
  O  O9  1  0.240  0.090  0.479  1.0
  O  O10  1  0.779  0.036  0.129  1.0
  Ti  Ti11  1  0.038  0.873  0.687  1.0
  Ti  Ti12  1  0.021  0.089  0.324  1.0
  V  V13  1  0.491  0.993  0.003  1.0
  V  V14  1  0.971  0.307  0.890  1.0
  V  V15  1  0.980  0.668  0.131  1.0
[/CIF]
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