The structure described by Li3V3(BO5)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second Li site, Li(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with four equivalent V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. In the third Li site, Li(3) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. In the fourth Li site, Li(4) is bonded to two equivalent O(10) and four equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent V(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the fifth Li site, Li(5) is bonded to two equivalent O(8) and four equivalent O(9) atoms to form LiO6 octahedra that share corners with four equivalent V(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-64°. In the second V site, V(2) is bonded to one O(4), one O(6), two equivalent O(10), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-56°. In the third V site, V(3) is bonded to one O(10), one O(9), two equivalent O(7), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(7) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), and two equivalent V(1) atoms to form distorted OLi2V2 tetrahedra that share  a cornercorner with one O(2)Li3V2 square pyramid, corners with two equivalent O(9)Li2V3 square pyramids, corners with three equivalent O(1)Li2V2 tetrahedra, and  an edgeedge with one O(9)Li2V3 square pyramid. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), and two equivalent V(2) atoms to form OLi3V2 square pyramids that share corners with two equivalent O(2)Li3V2 square pyramids,  a cornercorner with one O(1)Li2V2 tetrahedra, and edges with three equivalent O(2)Li3V2 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(3), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(3), one V(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one B(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(4), one V(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one V(1), two equivalent V(3), and one B(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), two equivalent V(3), and one B(1) atom. In the ninth O site, O(9) is bonded to two equivalent Li(5), one V(3), and two equivalent V(1) atoms to form OLi2V3 square pyramids that share corners with two equivalent O(9)Li2V3 square pyramids, corners with two equivalent O(1)Li2V2 tetrahedra, edges with three equivalent O(9)Li2V3 square pyramids, and  an edgeedge with one O(1)Li2V2 tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(3), and two equivalent V(2) atoms. is represented by the CIF card [CIF]
data_Li3V3(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.997
_cell_length_b   9.408
_cell_length_c   12.107
_cell_angle_alpha   89.011
_cell_angle_beta   89.831
_cell_angle_gamma   88.855
_symmetry_Int_Tables_number   1
_cell_volume   341.273
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.999  0.010  0.291  1.0
  Li  Li3  1  0.000  0.500  0.500  1.0
  Li  Li4  1  0.500  0.500  0.000  1.0
  Li  Li5  1  0.001  0.990  0.709  1.0
  V  V6  1  0.519  0.234  0.110  1.0
  V  V7  1  0.524  0.253  0.611  1.0
  V  V8  1  0.998  0.503  0.782  1.0
  V  V9  1  0.002  0.497  0.218  1.0
  V  V10  1  0.476  0.747  0.389  1.0
  V  V11  1  0.481  0.766  0.890  1.0
  B  B12  1  0.496  0.231  0.858  1.0
  B  B13  1  0.496  0.265  0.368  1.0
  B  B14  1  0.504  0.735  0.632  1.0
  B  B15  1  0.504  0.769  0.142  1.0
  O  O16  1  0.984  0.120  0.144  1.0
  O  O17  1  0.990  0.137  0.576  1.0
  O  O18  1  0.493  0.124  0.361  1.0
  O  O19  1  0.494  0.160  0.762  1.0
  O  O20  1  0.485  0.160  0.959  1.0
  O  O21  1  0.499  0.347  0.461  1.0
  O  O22  1  0.503  0.350  0.263  1.0
  O  O23  1  0.499  0.383  0.856  1.0
  O  O24  1  0.012  0.377  0.079  1.0
  O  O25  1  0.007  0.388  0.652  1.0
  O  O26  1  0.993  0.612  0.348  1.0
  O  O27  1  0.988  0.623  0.921  1.0
  O  O28  1  0.501  0.617  0.144  1.0
  O  O29  1  0.497  0.650  0.737  1.0
  O  O30  1  0.501  0.653  0.539  1.0
  O  O31  1  0.515  0.840  0.041  1.0
  O  O32  1  0.506  0.840  0.238  1.0
  O  O33  1  0.507  0.876  0.639  1.0
  O  O34  1  0.010  0.863  0.424  1.0
  O  O35  1  0.016  0.880  0.856  1.0
[/CIF]
.
The structure described by Li3V3(BO5)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second Li site, Li(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with four equivalent V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. In the third Li site, Li(3) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. In the fourth Li site, Li(4) is bonded to two equivalent O(10) and four equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent V(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the fifth Li site, Li(5) is bonded to two equivalent O(8) and four equivalent O(9) atoms to form LiO6 octahedra that share corners with four equivalent V(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form distorted VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-64°. In the second V site, V(2) is bonded to one O(4), one O(6), two equivalent O(10), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-56°. In the third V site, V(3) is bonded to one O(10), one O(9), two equivalent O(7), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(7) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), and two equivalent V(1) atoms to form distorted OLi2V2 tetrahedra that share  a cornercorner with one O(2)Li3V2 square pyramid, corners with two equivalent O(9)Li2V3 square pyramids, corners with three equivalent O(1)Li2V2 tetrahedra, and  an edgeedge with one O(9)Li2V3 square pyramid. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), and two equivalent V(2) atoms to form OLi3V2 square pyramids that share corners with two equivalent O(2)Li3V2 square pyramids,  a cornercorner with one O(1)Li2V2 tetrahedra, and edges with three equivalent O(2)Li3V2 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(3), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(3), one V(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one B(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(4), one V(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one V(1), two equivalent V(3), and one B(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), two equivalent V(3), and one B(1) atom. In the ninth O site, O(9) is bonded to two equivalent Li(5), one V(3), and two equivalent V(1) atoms to form OLi2V3 square pyramids that share corners with two equivalent O(9)Li2V3 square pyramids, corners with two equivalent O(1)Li2V2 tetrahedra, edges with three equivalent O(9)Li2V3 square pyramids, and  an edgeedge with one O(1)Li2V2 tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(3), and two equivalent V(2) atoms. is represented by the CIF card [CIF]
data_Li3V3(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.997
_cell_length_b   9.408
_cell_length_c   12.107
_cell_angle_alpha   89.011
_cell_angle_beta   89.831
_cell_angle_gamma   88.855
_symmetry_Int_Tables_number   1
_cell_volume   341.273
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.999  0.010  0.291  1.0
  Li  Li3  1  0.000  0.500  0.500  1.0
  Li  Li4  1  0.500  0.500  0.000  1.0
  Li  Li5  1  0.001  0.990  0.709  1.0
  V  V6  1  0.519  0.234  0.110  1.0
  V  V7  1  0.524  0.253  0.611  1.0
  V  V8  1  0.998  0.503  0.782  1.0
  V  V9  1  0.002  0.497  0.218  1.0
  V  V10  1  0.476  0.747  0.389  1.0
  V  V11  1  0.481  0.766  0.890  1.0
  B  B12  1  0.496  0.231  0.858  1.0
  B  B13  1  0.496  0.265  0.368  1.0
  B  B14  1  0.504  0.735  0.632  1.0
  B  B15  1  0.504  0.769  0.142  1.0
  O  O16  1  0.984  0.120  0.144  1.0
  O  O17  1  0.990  0.137  0.576  1.0
  O  O18  1  0.493  0.124  0.361  1.0
  O  O19  1  0.494  0.160  0.762  1.0
  O  O20  1  0.485  0.160  0.959  1.0
  O  O21  1  0.499  0.347  0.461  1.0
  O  O22  1  0.503  0.350  0.263  1.0
  O  O23  1  0.499  0.383  0.856  1.0
  O  O24  1  0.012  0.377  0.079  1.0
  O  O25  1  0.007  0.388  0.652  1.0
  O  O26  1  0.993  0.612  0.348  1.0
  O  O27  1  0.988  0.623  0.921  1.0
  O  O28  1  0.501  0.617  0.144  1.0
  O  O29  1  0.497  0.650  0.737  1.0
  O  O30  1  0.501  0.653  0.539  1.0
  O  O31  1  0.515  0.840  0.041  1.0
  O  O32  1  0.506  0.840  0.238  1.0
  O  O33  1  0.507  0.876  0.639  1.0
  O  O34  1  0.010  0.863  0.424  1.0
  O  O35  1  0.016  0.880  0.856  1.0
[/CIF]
.