The compound 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 to one O(1), one O(3), one O(4), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with three equivalent V(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O5 trigonal bipyramid, and edges with two equivalent V(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, and edges with two equivalent Li(2)O5 trigonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), and one B(2) atom to form distorted OLi2VB trigonal pyramids that share corners with two equivalent O(3)Li4B trigonal bipyramids, corners with three equivalent O(6)Li2VB trigonal pyramids, and  an edgeedge with one O(2)Li2VB trigonal pyramid. In the second O site, O(2) 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(3)Li4B trigonal bipyramids, corners with three equivalent O(6)Li2VB trigonal pyramids,  an edgeedge with one O(3)Li4B trigonal bipyramid, and  an edgeedge with one O(1)Li2VB trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one B(1) atom to form distorted OLi4B trigonal bipyramids that share  a cornercorner with one O(6)Li2VB trigonal pyramid, corners with two equivalent O(1)Li2VB trigonal pyramids, corners with two equivalent O(2)Li2VB trigonal pyramids,  an edgeedge with one O(3)Li4B trigonal bipyramid,  an edgeedge with one O(2)Li2VB trigonal pyramid, and  an edgeedge with one O(6)Li2VB trigonal pyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one 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(1) atom to form distorted OLi2VB trigonal pyramids that share  a cornercorner with one O(3)Li4B trigonal bipyramid, corners with three equivalent O(1)Li2VB trigonal pyramids, corners with three equivalent O(2)Li2VB trigonal pyramids, and  an edgeedge with one O(3)Li4B trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.788
_cell_length_b   5.135
_cell_length_c   10.868
_cell_angle_alpha   62.712
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   435.857
_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  0.978  0.516  0.329  1.0
  Li  Li1  1  0.661  0.452  0.378  1.0
  Li  Li2  1  0.986  0.926  0.896  1.0
  Li  Li3  1  0.161  0.548  0.122  1.0
  Li  Li4  1  0.486  0.074  0.604  1.0
  Li  Li5  1  0.478  0.484  0.171  1.0
  Li  Li6  1  0.522  0.516  0.829  1.0
  Li  Li7  1  0.514  0.926  0.396  1.0
  Li  Li8  1  0.839  0.452  0.878  1.0
  Li  Li9  1  0.014  0.074  0.104  1.0
  Li  Li10  1  0.339  0.548  0.622  1.0
  Li  Li11  1  0.022  0.484  0.671  1.0
  V  V12  1  0.325  0.975  0.879  1.0
  V  V13  1  0.825  0.025  0.621  1.0
  V  V14  1  0.175  0.975  0.379  1.0
  V  V15  1  0.675  0.025  0.121  1.0
  B  B16  1  0.324  0.455  0.379  1.0
  B  B17  1  0.662  0.967  0.868  1.0
  B  B18  1  0.824  0.545  0.121  1.0
  B  B19  1  0.162  0.033  0.632  1.0
  B  B20  1  0.838  0.967  0.368  1.0
  B  B21  1  0.176  0.455  0.879  1.0
  B  B22  1  0.338  0.033  0.132  1.0
  B  B23  1  0.676  0.545  0.621  1.0
  O  O24  1  0.334  0.818  0.088  1.0
  O  O25  1  0.667  0.306  0.594  1.0
  O  O26  1  0.950  0.704  0.117  1.0
  O  O27  1  0.022  0.143  0.646  1.0
  O  O28  1  0.292  0.138  0.664  1.0
  O  O29  1  0.683  0.621  0.154  1.0
  O  O30  1  0.183  0.379  0.346  1.0
  O  O31  1  0.792  0.862  0.836  1.0
  O  O32  1  0.522  0.857  0.854  1.0
  O  O33  1  0.450  0.296  0.383  1.0
  O  O34  1  0.834  0.182  0.412  1.0
  O  O35  1  0.167  0.694  0.906  1.0
  O  O36  1  0.833  0.306  0.094  1.0
  O  O37  1  0.166  0.818  0.588  1.0
  O  O38  1  0.550  0.704  0.617  1.0
  O  O39  1  0.478  0.143  0.146  1.0
  O  O40  1  0.208  0.138  0.164  1.0
  O  O41  1  0.817  0.621  0.654  1.0
  O  O42  1  0.317  0.379  0.846  1.0
  O  O43  1  0.708  0.862  0.336  1.0
  O  O44  1  0.978  0.857  0.354  1.0
  O  O45  1  0.050  0.296  0.883  1.0
  O  O46  1  0.333  0.694  0.406  1.0
  O  O47  1  0.666  0.182  0.912  1.0
[/CIF]
.
The compound 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 to one O(1), one O(3), one O(4), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with three equivalent V(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O5 trigonal bipyramid, and edges with two equivalent V(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, and edges with two equivalent Li(2)O5 trigonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), and one B(2) atom to form distorted OLi2VB trigonal pyramids that share corners with two equivalent O(3)Li4B trigonal bipyramids, corners with three equivalent O(6)Li2VB trigonal pyramids, and  an edgeedge with one O(2)Li2VB trigonal pyramid. In the second O site, O(2) 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(3)Li4B trigonal bipyramids, corners with three equivalent O(6)Li2VB trigonal pyramids,  an edgeedge with one O(3)Li4B trigonal bipyramid, and  an edgeedge with one O(1)Li2VB trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one B(1) atom to form distorted OLi4B trigonal bipyramids that share  a cornercorner with one O(6)Li2VB trigonal pyramid, corners with two equivalent O(1)Li2VB trigonal pyramids, corners with two equivalent O(2)Li2VB trigonal pyramids,  an edgeedge with one O(3)Li4B trigonal bipyramid,  an edgeedge with one O(2)Li2VB trigonal pyramid, and  an edgeedge with one O(6)Li2VB trigonal pyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one 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(1) atom to form distorted OLi2VB trigonal pyramids that share  a cornercorner with one O(3)Li4B trigonal bipyramid, corners with three equivalent O(1)Li2VB trigonal pyramids, corners with three equivalent O(2)Li2VB trigonal pyramids, and  an edgeedge with one O(3)Li4B trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.788
_cell_length_b   5.135
_cell_length_c   10.868
_cell_angle_alpha   62.712
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   435.857
_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  0.978  0.516  0.329  1.0
  Li  Li1  1  0.661  0.452  0.378  1.0
  Li  Li2  1  0.986  0.926  0.896  1.0
  Li  Li3  1  0.161  0.548  0.122  1.0
  Li  Li4  1  0.486  0.074  0.604  1.0
  Li  Li5  1  0.478  0.484  0.171  1.0
  Li  Li6  1  0.522  0.516  0.829  1.0
  Li  Li7  1  0.514  0.926  0.396  1.0
  Li  Li8  1  0.839  0.452  0.878  1.0
  Li  Li9  1  0.014  0.074  0.104  1.0
  Li  Li10  1  0.339  0.548  0.622  1.0
  Li  Li11  1  0.022  0.484  0.671  1.0
  V  V12  1  0.325  0.975  0.879  1.0
  V  V13  1  0.825  0.025  0.621  1.0
  V  V14  1  0.175  0.975  0.379  1.0
  V  V15  1  0.675  0.025  0.121  1.0
  B  B16  1  0.324  0.455  0.379  1.0
  B  B17  1  0.662  0.967  0.868  1.0
  B  B18  1  0.824  0.545  0.121  1.0
  B  B19  1  0.162  0.033  0.632  1.0
  B  B20  1  0.838  0.967  0.368  1.0
  B  B21  1  0.176  0.455  0.879  1.0
  B  B22  1  0.338  0.033  0.132  1.0
  B  B23  1  0.676  0.545  0.621  1.0
  O  O24  1  0.334  0.818  0.088  1.0
  O  O25  1  0.667  0.306  0.594  1.0
  O  O26  1  0.950  0.704  0.117  1.0
  O  O27  1  0.022  0.143  0.646  1.0
  O  O28  1  0.292  0.138  0.664  1.0
  O  O29  1  0.683  0.621  0.154  1.0
  O  O30  1  0.183  0.379  0.346  1.0
  O  O31  1  0.792  0.862  0.836  1.0
  O  O32  1  0.522  0.857  0.854  1.0
  O  O33  1  0.450  0.296  0.383  1.0
  O  O34  1  0.834  0.182  0.412  1.0
  O  O35  1  0.167  0.694  0.906  1.0
  O  O36  1  0.833  0.306  0.094  1.0
  O  O37  1  0.166  0.818  0.588  1.0
  O  O38  1  0.550  0.704  0.617  1.0
  O  O39  1  0.478  0.143  0.146  1.0
  O  O40  1  0.208  0.138  0.164  1.0
  O  O41  1  0.817  0.621  0.654  1.0
  O  O42  1  0.317  0.379  0.846  1.0
  O  O43  1  0.708  0.862  0.336  1.0
  O  O44  1  0.978  0.857  0.354  1.0
  O  O45  1  0.050  0.296  0.883  1.0
  O  O46  1  0.333  0.694  0.406  1.0
  O  O47  1  0.666  0.182  0.912  1.0
[/CIF]
.