The structure described by LiVBO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-90°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent V(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one B(1) atom to form distorted edge-sharing OLiV2B trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent V(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.621
_cell_length_b   5.263
_cell_length_c   6.113
_cell_angle_alpha   97.031
_cell_angle_beta   108.952
_cell_angle_gamma   114.595
_symmetry_Int_Tables_number   1
_cell_volume   121.998
_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
  B  B0  1  0.793  0.098  0.743  1.0
  B  B1  1  0.207  0.902  0.257  1.0
  Li  Li2  1  0.443  0.374  0.663  1.0
  Li  Li3  1  0.557  0.626  0.337  1.0
  O  O4  1  0.980  0.286  0.640  1.0
  O  O5  1  0.020  0.714  0.360  1.0
  O  O6  1  0.633  0.193  0.868  1.0
  O  O7  1  0.367  0.807  0.132  1.0
  O  O8  1  0.720  0.806  0.706  1.0
  O  O9  1  0.280  0.194  0.294  1.0
  V  V10  1  0.201  0.757  0.749  1.0
  V  V11  1  0.799  0.243  0.251  1.0
[/CIF]
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The structure described by LiVBO3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-90°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent V(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one B(1) atom to form distorted edge-sharing OLiV2B trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent V(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.621
_cell_length_b   5.263
_cell_length_c   6.113
_cell_angle_alpha   97.031
_cell_angle_beta   108.952
_cell_angle_gamma   114.595
_symmetry_Int_Tables_number   1
_cell_volume   121.998
_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
  B  B0  1  0.793  0.098  0.743  1.0
  B  B1  1  0.207  0.902  0.257  1.0
  Li  Li2  1  0.443  0.374  0.663  1.0
  Li  Li3  1  0.557  0.626  0.337  1.0
  O  O4  1  0.980  0.286  0.640  1.0
  O  O5  1  0.020  0.714  0.360  1.0
  O  O6  1  0.633  0.193  0.868  1.0
  O  O7  1  0.367  0.807  0.132  1.0
  O  O8  1  0.720  0.806  0.706  1.0
  O  O9  1  0.280  0.194  0.294  1.0
  V  V10  1  0.201  0.757  0.749  1.0
  V  V11  1  0.799  0.243  0.251  1.0
[/CIF]
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