The material structure described by LiVTiO4 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), and two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Ti(1), and one V(1) atom to form a mixture of corner and edge-sharing OLi2Ti2V square pyramids. is represented by the CIF card [CIF]
data_LiTiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.923
_cell_length_b   5.970
_cell_length_c   5.970
_cell_angle_alpha   90.167
_cell_angle_beta   119.710
_cell_angle_gamma   119.710
_symmetry_Int_Tables_number   1
_cell_volume   150.346
_cell_formula_units_Z   2
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  0.500  0.500  0.500  1.0
  Li  Li1  1  1.000  0.500  0.500  1.0
  O  O2  1  0.474  0.765  0.234  1.0
  O  O3  1  0.026  0.766  0.235  1.0
  O  O4  1  0.974  0.234  0.765  1.0
  O  O5  1  0.526  0.235  0.766  1.0
  O  O6  1  0.975  0.230  0.220  1.0
  O  O7  1  0.525  0.780  0.770  1.0
  O  O8  1  0.475  0.220  0.230  1.0
  O  O9  1  0.025  0.770  0.780  1.0
  Ti  Ti10  1  0.500  1.000  1.000  1.0
  Ti  Ti11  1  1.000  1.000  1.000  1.0
  V  V12  1  0.500  0.000  0.500  1.0
  V  V13  1  0.000  0.500  0.000  1.0
[/CIF]
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The material structure described by LiVTiO4 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share edges with two equivalent V(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), and two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Ti(1), and one V(1) atom to form a mixture of corner and edge-sharing OLi2Ti2V square pyramids. is represented by the CIF card [CIF]
data_LiTiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.923
_cell_length_b   5.970
_cell_length_c   5.970
_cell_angle_alpha   90.167
_cell_angle_beta   119.710
_cell_angle_gamma   119.710
_symmetry_Int_Tables_number   1
_cell_volume   150.346
_cell_formula_units_Z   2
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  0.500  0.500  0.500  1.0
  Li  Li1  1  1.000  0.500  0.500  1.0
  O  O2  1  0.474  0.765  0.234  1.0
  O  O3  1  0.026  0.766  0.235  1.0
  O  O4  1  0.974  0.234  0.765  1.0
  O  O5  1  0.526  0.235  0.766  1.0
  O  O6  1  0.975  0.230  0.220  1.0
  O  O7  1  0.525  0.780  0.770  1.0
  O  O8  1  0.475  0.220  0.230  1.0
  O  O9  1  0.025  0.770  0.780  1.0
  Ti  Ti10  1  0.500  1.000  1.000  1.0
  Ti  Ti11  1  1.000  1.000  1.000  1.0
  V  V12  1  0.500  0.000  0.500  1.0
  V  V13  1  0.000  0.500  0.000  1.0
[/CIF]
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