The compound described by LiVTiO4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)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 range from 9-22°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. In the third Ti site, Ti(3) is bonded to one O(10), one O(11), one O(4), one O(5), one O(6), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the second V site, V(2) 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 Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-22°. In the third V site, V(3) is bonded to one O(10), one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ti(1), one Ti(2), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(11)Li2Ti2V square pyramid,  a cornercorner with one O(10)Li2TiV2 square pyramid,  a cornercorner with one O(8)LiTiV2 trigonal pyramid,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(4)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid, edges with two equivalent O(7)Li2Ti2V square pyramids, and  an edgeedge with one O(8)LiTiV2 trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Ti(2), one Ti(3), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(7)Li2Ti2V square pyramid, corners with two equivalent O(11)Li2Ti2V square pyramids, corners with two equivalent O(8)LiTiV2 trigonal pyramids,  an edgeedge with one O(2)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid, and edges with two equivalent O(10)Li2TiV2 square pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(3), one V(1), and one V(3) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Ti(1), one Ti(3), and one V(3) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(10)Li2TiV2 square pyramid, corners with two equivalent O(7)Li2Ti2V square pyramids,  a cornercorner with one O(8)LiTiV2 trigonal pyramid,  an edgeedge with one O(2)Li2Ti2V square pyramid,  an edgeedge with one O(4)Li2Ti2V square pyramid,  an edgeedge with one O(10)Li2TiV2 square pyramid, and edges with two equivalent O(11)Li2Ti2V square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Ti(1), one Ti(2), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(4)Li2Ti2V square pyramid, corners with two equivalent O(6)Li2Ti2V square pyramids,  a cornercorner with one O(8)LiTiV2 trigonal pyramid,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(4)Li2Ti2V square pyramid,  an edgeedge with one O(10)Li2TiV2 square pyramid, edges with two equivalent O(2)Li2Ti2V square pyramids, and  an edgeedge with one O(8)LiTiV2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Ti(2), one V(1), and one V(2) atom to form OLiTiV2 trigonal pyramids that share  a cornercorner with one O(2)Li2Ti2V square pyramid,  a cornercorner with one O(6)Li2Ti2V square pyramid,  a cornercorner with one O(7)Li2Ti2V square pyramid,  a cornercorner with one O(10)Li2TiV2 square pyramid, corners with two equivalent O(4)Li2Ti2V square pyramids,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(2)Li2Ti2V square pyramid, and  an edgeedge with one O(7)Li2Ti2V square pyramid. In the ninth O site, O(9) is bonded in a see-saw-like geometry to one Li(2), one Ti(2), one Ti(3), and one V(3) atom. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Ti(3), one V(2), and one V(3) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(2)Li2Ti2V square pyramid,  a cornercorner with one O(6)Li2Ti2V square pyramid,  a cornercorner with one O(8)LiTiV2 trigonal pyramid,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid, and edges with two equivalent O(4)Li2Ti2V square pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Ti(1), one Ti(3), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(2)Li2Ti2V square pyramid, corners with two equivalent O(4)Li2Ti2V square pyramids,  an edgeedge with one O(2)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid,  an edgeedge with one O(10)Li2TiV2 square pyramid, edges with two equivalent O(6)Li2Ti2V square pyramids, and  an edgeedge with one O(8)LiTiV2 trigonal pyramid. In the twelfth O site, O(12) is bonded in a see-saw-like geometry to one Li(3), one Ti(1), one V(1), and one V(3) atom. is represented by the CIF card [CIF]
data_LiTiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.286
_cell_length_b   6.010
_cell_length_c   7.903
_cell_angle_alpha   100.865
_cell_angle_beta   108.989
_cell_angle_gamma   91.735
_symmetry_Int_Tables_number   1
_cell_volume   231.990
_cell_formula_units_Z   3
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  0.002  0.516  0.008  1.0
  Li  Li1  1  0.002  0.332  0.331  1.0
  Li  Li2  1  0.997  0.146  0.659  1.0
  O  O3  1  0.700  0.058  0.159  1.0
  O  O4  1  0.724  0.528  0.163  1.0
  O  O5  1  0.711  0.883  0.493  1.0
  O  O6  1  0.711  0.368  0.487  1.0
  O  O7  1  0.705  0.698  0.825  1.0
  O  O8  1  0.712  0.221  0.821  1.0
  O  O9  1  0.282  0.307  0.169  1.0
  O  O10  1  0.303  0.770  0.176  1.0
  O  O11  1  0.308  0.608  0.500  1.0
  O  O12  1  0.274  0.139  0.511  1.0
  O  O13  1  0.291  0.448  0.840  1.0
  O  O14  1  0.289  0.970  0.840  1.0
  Ti  Ti15  1  0.483  0.239  0.004  1.0
  Ti  Ti16  1  0.542  0.599  0.345  1.0
  Ti  Ti17  1  0.502  0.421  0.671  1.0
  V  V18  1  0.508  0.752  0.002  1.0
  V  V19  1  0.469  0.080  0.326  1.0
  V  V20  1  0.494  0.917  0.665  1.0
[/CIF]
.
The compound described by LiVTiO4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)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 range from 9-22°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. In the third Ti site, Ti(3) is bonded to one O(10), one O(11), one O(4), one O(5), one O(6), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the second V site, V(2) 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 Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-22°. In the third V site, V(3) is bonded to one O(10), one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ti(1), one Ti(2), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(11)Li2Ti2V square pyramid,  a cornercorner with one O(10)Li2TiV2 square pyramid,  a cornercorner with one O(8)LiTiV2 trigonal pyramid,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(4)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid, edges with two equivalent O(7)Li2Ti2V square pyramids, and  an edgeedge with one O(8)LiTiV2 trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Ti(2), one Ti(3), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(7)Li2Ti2V square pyramid, corners with two equivalent O(11)Li2Ti2V square pyramids, corners with two equivalent O(8)LiTiV2 trigonal pyramids,  an edgeedge with one O(2)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid, and edges with two equivalent O(10)Li2TiV2 square pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(3), one V(1), and one V(3) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Ti(1), one Ti(3), and one V(3) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(10)Li2TiV2 square pyramid, corners with two equivalent O(7)Li2Ti2V square pyramids,  a cornercorner with one O(8)LiTiV2 trigonal pyramid,  an edgeedge with one O(2)Li2Ti2V square pyramid,  an edgeedge with one O(4)Li2Ti2V square pyramid,  an edgeedge with one O(10)Li2TiV2 square pyramid, and edges with two equivalent O(11)Li2Ti2V square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Ti(1), one Ti(2), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(4)Li2Ti2V square pyramid, corners with two equivalent O(6)Li2Ti2V square pyramids,  a cornercorner with one O(8)LiTiV2 trigonal pyramid,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(4)Li2Ti2V square pyramid,  an edgeedge with one O(10)Li2TiV2 square pyramid, edges with two equivalent O(2)Li2Ti2V square pyramids, and  an edgeedge with one O(8)LiTiV2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Ti(2), one V(1), and one V(2) atom to form OLiTiV2 trigonal pyramids that share  a cornercorner with one O(2)Li2Ti2V square pyramid,  a cornercorner with one O(6)Li2Ti2V square pyramid,  a cornercorner with one O(7)Li2Ti2V square pyramid,  a cornercorner with one O(10)Li2TiV2 square pyramid, corners with two equivalent O(4)Li2Ti2V square pyramids,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(2)Li2Ti2V square pyramid, and  an edgeedge with one O(7)Li2Ti2V square pyramid. In the ninth O site, O(9) is bonded in a see-saw-like geometry to one Li(2), one Ti(2), one Ti(3), and one V(3) atom. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Ti(3), one V(2), and one V(3) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(2)Li2Ti2V square pyramid,  a cornercorner with one O(6)Li2Ti2V square pyramid,  a cornercorner with one O(8)LiTiV2 trigonal pyramid,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid, and edges with two equivalent O(4)Li2Ti2V square pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Ti(1), one Ti(3), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(2)Li2Ti2V square pyramid, corners with two equivalent O(4)Li2Ti2V square pyramids,  an edgeedge with one O(2)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid,  an edgeedge with one O(10)Li2TiV2 square pyramid, edges with two equivalent O(6)Li2Ti2V square pyramids, and  an edgeedge with one O(8)LiTiV2 trigonal pyramid. In the twelfth O site, O(12) is bonded in a see-saw-like geometry to one Li(3), one Ti(1), one V(1), and one V(3) atom. is represented by the CIF card [CIF]
data_LiTiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.286
_cell_length_b   6.010
_cell_length_c   7.903
_cell_angle_alpha   100.865
_cell_angle_beta   108.989
_cell_angle_gamma   91.735
_symmetry_Int_Tables_number   1
_cell_volume   231.990
_cell_formula_units_Z   3
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  0.002  0.516  0.008  1.0
  Li  Li1  1  0.002  0.332  0.331  1.0
  Li  Li2  1  0.997  0.146  0.659  1.0
  O  O3  1  0.700  0.058  0.159  1.0
  O  O4  1  0.724  0.528  0.163  1.0
  O  O5  1  0.711  0.883  0.493  1.0
  O  O6  1  0.711  0.368  0.487  1.0
  O  O7  1  0.705  0.698  0.825  1.0
  O  O8  1  0.712  0.221  0.821  1.0
  O  O9  1  0.282  0.307  0.169  1.0
  O  O10  1  0.303  0.770  0.176  1.0
  O  O11  1  0.308  0.608  0.500  1.0
  O  O12  1  0.274  0.139  0.511  1.0
  O  O13  1  0.291  0.448  0.840  1.0
  O  O14  1  0.289  0.970  0.840  1.0
  Ti  Ti15  1  0.483  0.239  0.004  1.0
  Ti  Ti16  1  0.542  0.599  0.345  1.0
  Ti  Ti17  1  0.502  0.421  0.671  1.0
  V  V18  1  0.508  0.752  0.002  1.0
  V  V19  1  0.469  0.080  0.326  1.0
  V  V20  1  0.494  0.917  0.665  1.0
[/CIF]
.