The crystal structure described by Li3V(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3), one O(4), and two equivalent O(5) atoms. V(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. 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(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), 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 see-saw-like geometry to one Li(1), one Li(2), one V(1), and one B(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(1), one Li(2), two equivalent V(1), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one V(1), and one B(2) atom to form distorted edge-sharing OLi3VB trigonal bipyramids. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), one V(1), and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(1), and one B(2) atom to form distorted edge-sharing OLi2VB tetrahedra. is represented by the CIF card [CIF]
data_Li3V(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.765
_cell_length_b   5.971
_cell_length_c   10.435
_cell_angle_alpha   55.582
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.525
_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  0.242  0.837  0.153  1.0
  Li  Li1  1  0.770  0.627  0.397  1.0
  Li  Li2  1  0.417  0.882  0.402  1.0
  Li  Li3  1  0.917  0.118  0.098  1.0
  Li  Li4  1  0.270  0.373  0.103  1.0
  Li  Li5  1  0.742  0.163  0.347  1.0
  Li  Li6  1  0.258  0.837  0.653  1.0
  Li  Li7  1  0.730  0.627  0.897  1.0
  Li  Li8  1  0.083  0.882  0.902  1.0
  Li  Li9  1  0.583  0.118  0.598  1.0
  Li  Li10  1  0.230  0.373  0.603  1.0
  Li  Li11  1  0.758  0.163  0.847  1.0
  V  V12  1  0.401  0.292  0.869  1.0
  V  V13  1  0.901  0.708  0.631  1.0
  V  V14  1  0.099  0.292  0.369  1.0
  V  V15  1  0.599  0.708  0.131  1.0
  B  B16  1  0.106  0.855  0.364  1.0
  B  B17  1  0.565  0.613  0.637  1.0
  B  B18  1  0.065  0.387  0.863  1.0
  B  B19  1  0.606  0.145  0.136  1.0
  B  B20  1  0.394  0.855  0.864  1.0
  B  B21  1  0.935  0.613  0.137  1.0
  B  B22  1  0.435  0.387  0.363  1.0
  B  B23  1  0.894  0.145  0.636  1.0
  O  O24  1  0.140  0.625  0.373  1.0
  O  O25  1  0.467  0.073  0.103  1.0
  O  O26  1  0.718  0.949  0.184  1.0
  O  O27  1  0.412  0.574  0.617  1.0
  O  O28  1  0.155  0.200  0.986  1.0
  O  O29  1  0.612  0.454  0.791  1.0
  O  O30  1  0.112  0.546  0.709  1.0
  O  O31  1  0.655  0.800  0.514  1.0
  O  O32  1  0.218  0.051  0.316  1.0
  O  O33  1  0.912  0.426  0.883  1.0
  O  O34  1  0.967  0.927  0.397  1.0
  O  O35  1  0.640  0.375  0.127  1.0
  O  O36  1  0.360  0.625  0.873  1.0
  O  O37  1  0.033  0.073  0.603  1.0
  O  O38  1  0.088  0.574  0.117  1.0
  O  O39  1  0.782  0.949  0.684  1.0
  O  O40  1  0.345  0.200  0.486  1.0
  O  O41  1  0.888  0.454  0.291  1.0
  O  O42  1  0.388  0.546  0.209  1.0
  O  O43  1  0.845  0.800  0.014  1.0
  O  O44  1  0.588  0.426  0.383  1.0
  O  O45  1  0.282  0.051  0.816  1.0
  O  O46  1  0.533  0.927  0.897  1.0
  O  O47  1  0.860  0.375  0.627  1.0
[/CIF]
.
The crystal structure described by Li3V(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3), one O(4), and two equivalent O(5) atoms. V(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. 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(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), 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 see-saw-like geometry to one Li(1), one Li(2), one V(1), and one B(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(1), one Li(2), two equivalent V(1), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one B(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one V(1), and one B(2) atom to form distorted edge-sharing OLi3VB trigonal bipyramids. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), one V(1), and one B(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(1), and one B(2) atom to form distorted edge-sharing OLi2VB tetrahedra. is represented by the CIF card [CIF]
data_Li3V(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.765
_cell_length_b   5.971
_cell_length_c   10.435
_cell_angle_alpha   55.582
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.525
_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  0.242  0.837  0.153  1.0
  Li  Li1  1  0.770  0.627  0.397  1.0
  Li  Li2  1  0.417  0.882  0.402  1.0
  Li  Li3  1  0.917  0.118  0.098  1.0
  Li  Li4  1  0.270  0.373  0.103  1.0
  Li  Li5  1  0.742  0.163  0.347  1.0
  Li  Li6  1  0.258  0.837  0.653  1.0
  Li  Li7  1  0.730  0.627  0.897  1.0
  Li  Li8  1  0.083  0.882  0.902  1.0
  Li  Li9  1  0.583  0.118  0.598  1.0
  Li  Li10  1  0.230  0.373  0.603  1.0
  Li  Li11  1  0.758  0.163  0.847  1.0
  V  V12  1  0.401  0.292  0.869  1.0
  V  V13  1  0.901  0.708  0.631  1.0
  V  V14  1  0.099  0.292  0.369  1.0
  V  V15  1  0.599  0.708  0.131  1.0
  B  B16  1  0.106  0.855  0.364  1.0
  B  B17  1  0.565  0.613  0.637  1.0
  B  B18  1  0.065  0.387  0.863  1.0
  B  B19  1  0.606  0.145  0.136  1.0
  B  B20  1  0.394  0.855  0.864  1.0
  B  B21  1  0.935  0.613  0.137  1.0
  B  B22  1  0.435  0.387  0.363  1.0
  B  B23  1  0.894  0.145  0.636  1.0
  O  O24  1  0.140  0.625  0.373  1.0
  O  O25  1  0.467  0.073  0.103  1.0
  O  O26  1  0.718  0.949  0.184  1.0
  O  O27  1  0.412  0.574  0.617  1.0
  O  O28  1  0.155  0.200  0.986  1.0
  O  O29  1  0.612  0.454  0.791  1.0
  O  O30  1  0.112  0.546  0.709  1.0
  O  O31  1  0.655  0.800  0.514  1.0
  O  O32  1  0.218  0.051  0.316  1.0
  O  O33  1  0.912  0.426  0.883  1.0
  O  O34  1  0.967  0.927  0.397  1.0
  O  O35  1  0.640  0.375  0.127  1.0
  O  O36  1  0.360  0.625  0.873  1.0
  O  O37  1  0.033  0.073  0.603  1.0
  O  O38  1  0.088  0.574  0.117  1.0
  O  O39  1  0.782  0.949  0.684  1.0
  O  O40  1  0.345  0.200  0.486  1.0
  O  O41  1  0.888  0.454  0.291  1.0
  O  O42  1  0.388  0.546  0.209  1.0
  O  O43  1  0.845  0.800  0.014  1.0
  O  O44  1  0.588  0.426  0.383  1.0
  O  O45  1  0.282  0.051  0.816  1.0
  O  O46  1  0.533  0.927  0.897  1.0
  O  O47  1  0.860  0.375  0.627  1.0
[/CIF]
.