The structure described by LiVBO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(1) atoms to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Li(1)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 52-58°. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one B(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Li(1), two equivalent V(1), and one B(1) atom to form distorted corner-sharing OLiV2B tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.114
_cell_length_b   9.088
_cell_length_c   9.415
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.440
_cell_formula_units_Z   4
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  0.750  0.122  0.935  1.0
  Li  Li1  1  0.250  0.378  0.435  1.0
  Li  Li2  1  0.750  0.622  0.565  1.0
  Li  Li3  1  0.250  0.878  0.065  1.0
  V  V4  1  0.750  0.108  0.291  1.0
  V  V5  1  0.250  0.392  0.791  1.0
  V  V6  1  0.750  0.608  0.209  1.0
  V  V7  1  0.250  0.892  0.709  1.0
  B  B8  1  0.750  0.165  0.615  1.0
  B  B9  1  0.250  0.335  0.115  1.0
  B  B10  1  0.750  0.665  0.885  1.0
  B  B11  1  0.250  0.835  0.385  1.0
  O  O12  1  0.750  0.025  0.131  1.0
  O  O13  1  0.750  0.011  0.632  1.0
  O  O14  1  0.750  0.226  0.485  1.0
  O  O15  1  0.750  0.249  0.741  1.0
  O  O16  1  0.250  0.251  0.241  1.0
  O  O17  1  0.250  0.274  0.985  1.0
  O  O18  1  0.250  0.489  0.132  1.0
  O  O19  1  0.250  0.475  0.631  1.0
  O  O20  1  0.750  0.525  0.369  1.0
  O  O21  1  0.750  0.511  0.868  1.0
  O  O22  1  0.750  0.726  0.015  1.0
  O  O23  1  0.750  0.749  0.759  1.0
  O  O24  1  0.250  0.751  0.259  1.0
  O  O25  1  0.250  0.774  0.515  1.0
  O  O26  1  0.250  0.989  0.368  1.0
  O  O27  1  0.250  0.975  0.869  1.0
[/CIF]
.
The structure described by LiVBO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(1) atoms to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Li(1)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 52-58°. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one B(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Li(1), two equivalent V(1), and one B(1) atom to form distorted corner-sharing OLiV2B tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.114
_cell_length_b   9.088
_cell_length_c   9.415
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.440
_cell_formula_units_Z   4
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  0.750  0.122  0.935  1.0
  Li  Li1  1  0.250  0.378  0.435  1.0
  Li  Li2  1  0.750  0.622  0.565  1.0
  Li  Li3  1  0.250  0.878  0.065  1.0
  V  V4  1  0.750  0.108  0.291  1.0
  V  V5  1  0.250  0.392  0.791  1.0
  V  V6  1  0.750  0.608  0.209  1.0
  V  V7  1  0.250  0.892  0.709  1.0
  B  B8  1  0.750  0.165  0.615  1.0
  B  B9  1  0.250  0.335  0.115  1.0
  B  B10  1  0.750  0.665  0.885  1.0
  B  B11  1  0.250  0.835  0.385  1.0
  O  O12  1  0.750  0.025  0.131  1.0
  O  O13  1  0.750  0.011  0.632  1.0
  O  O14  1  0.750  0.226  0.485  1.0
  O  O15  1  0.750  0.249  0.741  1.0
  O  O16  1  0.250  0.251  0.241  1.0
  O  O17  1  0.250  0.274  0.985  1.0
  O  O18  1  0.250  0.489  0.132  1.0
  O  O19  1  0.250  0.475  0.631  1.0
  O  O20  1  0.750  0.525  0.369  1.0
  O  O21  1  0.750  0.511  0.868  1.0
  O  O22  1  0.750  0.726  0.015  1.0
  O  O23  1  0.750  0.749  0.759  1.0
  O  O24  1  0.250  0.751  0.259  1.0
  O  O25  1  0.250  0.774  0.515  1.0
  O  O26  1  0.250  0.989  0.368  1.0
  O  O27  1  0.250  0.975  0.869  1.0
[/CIF]
.