The structure described by Li3V(BO3)2 is Clathrate-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with three equivalent V(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and corners with two equivalent Li(3)O4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one V(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. V(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form VO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one B(2) atom. In the third O site, O(3) is bonded to one Li(2), one Li(3), one V(1), and one B(1) atom to form distorted OLi2VB trigonal pyramids that share corners with two equivalent O(5)Li3B tetrahedra and  an edgeedge with one O(6)Li2VB tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Li(2), and one B(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one B(2) atom to form distorted corner-sharing OLi3B tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one V(1), and one B(2) atom to form distorted OLi2VB tetrahedra that share corners with three equivalent O(5)Li3B tetrahedra and  an edgeedge with one O(3)Li2VB trigonal pyramid. is represented by the CIF file [CIF]
data_Li3V(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.069
_cell_length_b   6.662
_cell_length_c   8.082
_cell_angle_alpha   72.399
_cell_angle_beta   88.427
_cell_angle_gamma   89.735
_symmetry_Int_Tables_number   1
_cell_volume   260.045
_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  0.839  0.185  0.597  1.0
  B  B1  1  0.161  0.815  0.403  1.0
  B  B2  1  0.334  0.669  0.077  1.0
  B  B3  1  0.666  0.331  0.923  1.0
  Li  Li4  1  0.160  0.252  0.116  1.0
  Li  Li5  1  0.840  0.748  0.884  1.0
  Li  Li6  1  0.335  0.400  0.425  1.0
  Li  Li7  1  0.665  0.600  0.575  1.0
  Li  Li8  1  0.151  0.473  0.728  1.0
  Li  Li9  1  0.849  0.527  0.272  1.0
  O  O10  1  0.285  0.994  0.290  1.0
  O  O11  1  0.715  0.006  0.710  1.0
  O  O12  1  0.790  0.208  0.073  1.0
  O  O13  1  0.210  0.792  0.927  1.0
  O  O14  1  0.112  0.205  0.612  1.0
  O  O15  1  0.888  0.795  0.388  1.0
  O  O16  1  0.700  0.338  0.484  1.0
  O  O17  1  0.300  0.662  0.516  1.0
  O  O18  1  0.209  0.502  0.189  1.0
  O  O19  1  0.791  0.498  0.811  1.0
  O  O20  1  0.404  0.272  0.897  1.0
  O  O21  1  0.596  0.728  0.103  1.0
  V  V22  1  0.361  0.053  0.781  1.0
  V  V23  1  0.639  0.947  0.219  1.0
[/CIF]
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The structure described by Li3V(BO3)2 is Clathrate-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with three equivalent V(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and corners with two equivalent Li(3)O4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one V(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. V(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form VO4 tetrahedra that share corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one B(2) atom. In the third O site, O(3) is bonded to one Li(2), one Li(3), one V(1), and one B(1) atom to form distorted OLi2VB trigonal pyramids that share corners with two equivalent O(5)Li3B tetrahedra and  an edgeedge with one O(6)Li2VB tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Li(2), and one B(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one B(2) atom to form distorted corner-sharing OLi3B tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one V(1), and one B(2) atom to form distorted OLi2VB tetrahedra that share corners with three equivalent O(5)Li3B tetrahedra and  an edgeedge with one O(3)Li2VB trigonal pyramid. is represented by the CIF file [CIF]
data_Li3V(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.069
_cell_length_b   6.662
_cell_length_c   8.082
_cell_angle_alpha   72.399
_cell_angle_beta   88.427
_cell_angle_gamma   89.735
_symmetry_Int_Tables_number   1
_cell_volume   260.045
_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  0.839  0.185  0.597  1.0
  B  B1  1  0.161  0.815  0.403  1.0
  B  B2  1  0.334  0.669  0.077  1.0
  B  B3  1  0.666  0.331  0.923  1.0
  Li  Li4  1  0.160  0.252  0.116  1.0
  Li  Li5  1  0.840  0.748  0.884  1.0
  Li  Li6  1  0.335  0.400  0.425  1.0
  Li  Li7  1  0.665  0.600  0.575  1.0
  Li  Li8  1  0.151  0.473  0.728  1.0
  Li  Li9  1  0.849  0.527  0.272  1.0
  O  O10  1  0.285  0.994  0.290  1.0
  O  O11  1  0.715  0.006  0.710  1.0
  O  O12  1  0.790  0.208  0.073  1.0
  O  O13  1  0.210  0.792  0.927  1.0
  O  O14  1  0.112  0.205  0.612  1.0
  O  O15  1  0.888  0.795  0.388  1.0
  O  O16  1  0.700  0.338  0.484  1.0
  O  O17  1  0.300  0.662  0.516  1.0
  O  O18  1  0.209  0.502  0.189  1.0
  O  O19  1  0.791  0.498  0.811  1.0
  O  O20  1  0.404  0.272  0.897  1.0
  O  O21  1  0.596  0.728  0.103  1.0
  V  V22  1  0.361  0.053  0.781  1.0
  V  V23  1  0.639  0.947  0.219  1.0
[/CIF]
.