The crystal structure described by Li3V3(BO5)2 crystallizes in the monoclinic Pm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(20), two equivalent O(16), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles are 69°. In the second Li site, Li(2) is bonded to one O(1), one O(19), two equivalent O(17), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-69°. In the third Li site, Li(3) is bonded to one O(10), one O(11), two equivalent O(15), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-68°. In the fourth Li site, Li(4) is bonded to one O(13), one O(8), two equivalent O(12), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-24°. In the fifth Li site, Li(5) is bonded to one O(11), one O(9), two equivalent O(13), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-68°. In the sixth Li site, Li(6) is bonded to one O(2), one O(20), two equivalent O(18), 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(6)O6 octahedra, edges with two equivalent Li(6)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 58-69°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(18), one O(3), two equivalent O(19), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second V site, V(2) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-59°. In the third V site, V(3) 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 V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-57°. In the fourth V site, V(4) is bonded to one O(10), one O(12), two equivalent O(14), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent V(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the fifth V site, V(5) is bonded to one O(15), one O(17), two equivalent O(11), and two equivalent O(19) atoms to form VO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one 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(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-63°. In the sixth V site, V(6) is bonded to one O(14), one O(16), two equivalent O(12), and two equivalent O(20) atoms to form distorted VO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-58°. There are four 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. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(18) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(13), one O(16), and one O(17) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), and two equivalent V(2) atoms to form OLi2V2 tetrahedra that share  a cornercorner with one O(19)LiV4 square pyramid, corners with two equivalent O(9)Li3V2 square pyramids, corners with two equivalent O(1)Li2V2 tetrahedra, corners with two equivalent O(17)Li2VB tetrahedra,  a cornercorner with one O(20)Li2V2 trigonal pyramid, and  an edgeedge with one O(9)Li3V2 square pyramid. In the second O site, O(2) is bonded to one Li(6), two equivalent V(1), and two equivalent V(3) atoms to form OLiV4 square pyramids that share corners with two equivalent O(19)LiV4 square pyramids,  a cornercorner with one O(20)Li2V2 trigonal pyramid, corners with two equivalent O(10)LiV3 trigonal pyramids,  an edgeedge with one O(19)LiV4 square pyramid, edges with two equivalent O(2)LiV4 square pyramids, and  an edgeedge with one O(10)LiV3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one V(1), 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(6), one V(3), 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(2), and one B(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(3), one V(3), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(5), one V(2), 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(4), two equivalent V(4), and one B(1) atom. In the ninth O site, O(9) is bonded to one Li(5), two equivalent Li(4), and two equivalent V(2) atoms to form OLi3V2 square pyramids that share  a cornercorner with one O(11)Li2V2 tetrahedra, corners with two equivalent O(1)Li2V2 tetrahedra, corners with two equivalent O(12)Li2V3 trigonal bipyramids, edges with two equivalent O(9)Li3V2 square pyramids,  an edgeedge with one O(1)Li2V2 tetrahedra, and  an edgeedge with one O(12)Li2V3 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(3), one V(4), and two equivalent V(3) atoms to form distorted OLiV3 trigonal pyramids that share corners with two equivalent O(2)LiV4 square pyramids,  a cornercorner with one O(11)Li2V2 tetrahedra,  a cornercorner with one O(12)Li2V3 trigonal bipyramid, corners with two equivalent O(10)LiV3 trigonal pyramids, and  an edgeedge with one O(2)LiV4 square pyramid. In the eleventh O site, O(11) is bonded to one Li(3), one Li(5), and two equivalent V(5) atoms to form OLi2V2 tetrahedra that share  a cornercorner with one O(9)Li3V2 square pyramid, corners with two equivalent O(19)LiV4 square pyramids, corners with two equivalent O(11)Li2V2 tetrahedra, corners with two equivalent O(17)Li2VB tetrahedra,  a cornercorner with one O(10)LiV3 trigonal pyramid, and  an edgeedge with one O(19)LiV4 square pyramid. In the twelfth O site, O(12) is bonded to two equivalent Li(4), one V(4), and two equivalent V(6) atoms to form OLi2V3 trigonal bipyramids that share corners with two equivalent O(9)Li3V2 square pyramids,  a cornercorner with one O(10)LiV3 trigonal pyramid, corners with two equivalent O(20)Li2V2 trigonal pyramids,  an edgeedge with one O(9)Li3V2 square pyramid, edges with two equivalent O(12)Li2V3 trigonal bipyramids, and  an edgeedge with one O(20)Li2V2 trigonal pyramid. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Li(5), and one B(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one V(6), two equivalent V(4), and one B(3) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to two equivalent Li(3), one V(5), and one B(3) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(6), and one B(4) atom. In the seventeenth O site, O(17) is bonded to two equivalent Li(2), one V(5), and one B(4) atom to form distorted OLi2VB tetrahedra that share corners with two equivalent O(1)Li2V2 tetrahedra, corners with two equivalent O(11)Li2V2 tetrahedra, corners with two equivalent O(17)Li2VB tetrahedra, and edges with two equivalent O(19)LiV4 square pyramids. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(6), one V(1), and one B(3) atom. In the nineteenth O site, O(19) is bonded to one Li(2), two equivalent V(1), and two equivalent V(5) atoms to form OLiV4 square pyramids that share corners with two equivalent O(2)LiV4 square pyramids,  a cornercorner with one O(1)Li2V2 tetrahedra, corners with two equivalent O(11)Li2V2 tetrahedra,  an edgeedge with one O(2)LiV4 square pyramid, edges with two equivalent O(19)LiV4 square pyramids,  an edgeedge with one O(11)Li2V2 tetrahedra, and edges with two equivalent O(17)Li2VB tetrahedra. In the twentieth O site, O(20) is bonded to one Li(1), one Li(6), and two equivalent V(6) atoms to form distorted OLi2V2 trigonal pyramids that share  a cornercorner with one O(2)LiV4 square pyramid,  a cornercorner with one O(1)Li2V2 tetrahedra, corners with two equivalent O(12)Li2V3 trigonal bipyramids, corners with two equivalent O(20)Li2V2 trigonal pyramids, and  an edgeedge with one O(12)Li2V3 trigonal bipyramid. is represented by the CIF file [CIF]
data_Li3V3(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.993
_cell_length_b   9.434
_cell_length_c   12.065
_cell_angle_alpha   89.154
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   340.613
_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  0.500  0.992  0.997  1.0
  Li  Li1  1  0.500  0.002  0.724  1.0
  Li  Li2  1  0.500  0.500  0.504  1.0
  Li  Li3  1  0.000  0.494  0.987  1.0
  Li  Li4  1  0.500  0.495  0.789  1.0
  Li  Li5  1  0.500  1.000  0.278  1.0
  V  V6  1  0.000  0.004  0.501  1.0
  V  V7  1  0.000  0.756  0.886  1.0
  V  V8  1  0.000  0.738  0.388  1.0
  V  V9  1  0.500  0.496  0.213  1.0
  V  V10  1  0.000  0.264  0.620  1.0
  V  V11  1  0.000  0.229  0.102  1.0
  B  B12  1  0.000  0.769  0.141  1.0
  B  B13  1  0.000  0.736  0.638  1.0
  B  B14  1  0.000  0.271  0.367  1.0
  B  B15  1  0.000  0.237  0.858  1.0
  O  O16  1  0.500  0.878  0.855  1.0
  O  O17  1  0.500  0.880  0.430  1.0
  O  O18  1  0.000  0.883  0.635  1.0
  O  O19  1  0.000  0.838  0.242  1.0
  O  O20  1  0.000  0.841  0.043  1.0
  O  O21  1  0.000  0.659  0.539  1.0
  O  O22  1  0.000  0.665  0.738  1.0
  O  O23  1  0.000  0.617  0.146  1.0
  O  O24  1  0.500  0.632  0.927  1.0
  O  O25  1  0.500  0.615  0.348  1.0
  O  O26  1  0.500  0.375  0.647  1.0
  O  O27  1  0.500  0.375  0.080  1.0
  O  O28  1  0.000  0.379  0.858  1.0
  O  O29  1  0.000  0.349  0.264  1.0
  O  O30  1  0.000  0.349  0.462  1.0
  O  O31  1  0.000  0.153  0.957  1.0
  O  O32  1  0.000  0.159  0.760  1.0
  O  O33  1  0.000  0.126  0.363  1.0
  O  O34  1  0.500  0.123  0.569  1.0
  O  O35  1  0.500  0.120  0.143  1.0
[/CIF]
.
The crystal structure described by Li3V3(BO5)2 crystallizes in the monoclinic Pm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(20), two equivalent O(16), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles are 69°. In the second Li site, Li(2) is bonded to one O(1), one O(19), two equivalent O(17), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-69°. In the third Li site, Li(3) is bonded to one O(10), one O(11), two equivalent O(15), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-68°. In the fourth Li site, Li(4) is bonded to one O(13), one O(8), two equivalent O(12), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-24°. In the fifth Li site, Li(5) is bonded to one O(11), one O(9), two equivalent O(13), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-68°. In the sixth Li site, Li(6) is bonded to one O(2), one O(20), two equivalent O(18), 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(6)O6 octahedra, edges with two equivalent Li(6)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 58-69°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(18), one O(3), two equivalent O(19), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second V site, V(2) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-59°. In the third V site, V(3) 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 V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-57°. In the fourth V site, V(4) is bonded to one O(10), one O(12), two equivalent O(14), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent V(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the fifth V site, V(5) is bonded to one O(15), one O(17), two equivalent O(11), and two equivalent O(19) atoms to form VO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one 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(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-63°. In the sixth V site, V(6) is bonded to one O(14), one O(16), two equivalent O(12), and two equivalent O(20) atoms to form distorted VO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-58°. There are four 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. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(18) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(13), one O(16), and one O(17) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), and two equivalent V(2) atoms to form OLi2V2 tetrahedra that share  a cornercorner with one O(19)LiV4 square pyramid, corners with two equivalent O(9)Li3V2 square pyramids, corners with two equivalent O(1)Li2V2 tetrahedra, corners with two equivalent O(17)Li2VB tetrahedra,  a cornercorner with one O(20)Li2V2 trigonal pyramid, and  an edgeedge with one O(9)Li3V2 square pyramid. In the second O site, O(2) is bonded to one Li(6), two equivalent V(1), and two equivalent V(3) atoms to form OLiV4 square pyramids that share corners with two equivalent O(19)LiV4 square pyramids,  a cornercorner with one O(20)Li2V2 trigonal pyramid, corners with two equivalent O(10)LiV3 trigonal pyramids,  an edgeedge with one O(19)LiV4 square pyramid, edges with two equivalent O(2)LiV4 square pyramids, and  an edgeedge with one O(10)LiV3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one V(1), 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(6), one V(3), 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(2), and one B(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(3), one V(3), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(5), one V(2), 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(4), two equivalent V(4), and one B(1) atom. In the ninth O site, O(9) is bonded to one Li(5), two equivalent Li(4), and two equivalent V(2) atoms to form OLi3V2 square pyramids that share  a cornercorner with one O(11)Li2V2 tetrahedra, corners with two equivalent O(1)Li2V2 tetrahedra, corners with two equivalent O(12)Li2V3 trigonal bipyramids, edges with two equivalent O(9)Li3V2 square pyramids,  an edgeedge with one O(1)Li2V2 tetrahedra, and  an edgeedge with one O(12)Li2V3 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(3), one V(4), and two equivalent V(3) atoms to form distorted OLiV3 trigonal pyramids that share corners with two equivalent O(2)LiV4 square pyramids,  a cornercorner with one O(11)Li2V2 tetrahedra,  a cornercorner with one O(12)Li2V3 trigonal bipyramid, corners with two equivalent O(10)LiV3 trigonal pyramids, and  an edgeedge with one O(2)LiV4 square pyramid. In the eleventh O site, O(11) is bonded to one Li(3), one Li(5), and two equivalent V(5) atoms to form OLi2V2 tetrahedra that share  a cornercorner with one O(9)Li3V2 square pyramid, corners with two equivalent O(19)LiV4 square pyramids, corners with two equivalent O(11)Li2V2 tetrahedra, corners with two equivalent O(17)Li2VB tetrahedra,  a cornercorner with one O(10)LiV3 trigonal pyramid, and  an edgeedge with one O(19)LiV4 square pyramid. In the twelfth O site, O(12) is bonded to two equivalent Li(4), one V(4), and two equivalent V(6) atoms to form OLi2V3 trigonal bipyramids that share corners with two equivalent O(9)Li3V2 square pyramids,  a cornercorner with one O(10)LiV3 trigonal pyramid, corners with two equivalent O(20)Li2V2 trigonal pyramids,  an edgeedge with one O(9)Li3V2 square pyramid, edges with two equivalent O(12)Li2V3 trigonal bipyramids, and  an edgeedge with one O(20)Li2V2 trigonal pyramid. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Li(5), and one B(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one V(6), two equivalent V(4), and one B(3) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to two equivalent Li(3), one V(5), and one B(3) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(6), and one B(4) atom. In the seventeenth O site, O(17) is bonded to two equivalent Li(2), one V(5), and one B(4) atom to form distorted OLi2VB tetrahedra that share corners with two equivalent O(1)Li2V2 tetrahedra, corners with two equivalent O(11)Li2V2 tetrahedra, corners with two equivalent O(17)Li2VB tetrahedra, and edges with two equivalent O(19)LiV4 square pyramids. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(6), one V(1), and one B(3) atom. In the nineteenth O site, O(19) is bonded to one Li(2), two equivalent V(1), and two equivalent V(5) atoms to form OLiV4 square pyramids that share corners with two equivalent O(2)LiV4 square pyramids,  a cornercorner with one O(1)Li2V2 tetrahedra, corners with two equivalent O(11)Li2V2 tetrahedra,  an edgeedge with one O(2)LiV4 square pyramid, edges with two equivalent O(19)LiV4 square pyramids,  an edgeedge with one O(11)Li2V2 tetrahedra, and edges with two equivalent O(17)Li2VB tetrahedra. In the twentieth O site, O(20) is bonded to one Li(1), one Li(6), and two equivalent V(6) atoms to form distorted OLi2V2 trigonal pyramids that share  a cornercorner with one O(2)LiV4 square pyramid,  a cornercorner with one O(1)Li2V2 tetrahedra, corners with two equivalent O(12)Li2V3 trigonal bipyramids, corners with two equivalent O(20)Li2V2 trigonal pyramids, and  an edgeedge with one O(12)Li2V3 trigonal bipyramid. is represented by the CIF file [CIF]
data_Li3V3(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.993
_cell_length_b   9.434
_cell_length_c   12.065
_cell_angle_alpha   89.154
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   340.613
_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  0.500  0.992  0.997  1.0
  Li  Li1  1  0.500  0.002  0.724  1.0
  Li  Li2  1  0.500  0.500  0.504  1.0
  Li  Li3  1  0.000  0.494  0.987  1.0
  Li  Li4  1  0.500  0.495  0.789  1.0
  Li  Li5  1  0.500  1.000  0.278  1.0
  V  V6  1  0.000  0.004  0.501  1.0
  V  V7  1  0.000  0.756  0.886  1.0
  V  V8  1  0.000  0.738  0.388  1.0
  V  V9  1  0.500  0.496  0.213  1.0
  V  V10  1  0.000  0.264  0.620  1.0
  V  V11  1  0.000  0.229  0.102  1.0
  B  B12  1  0.000  0.769  0.141  1.0
  B  B13  1  0.000  0.736  0.638  1.0
  B  B14  1  0.000  0.271  0.367  1.0
  B  B15  1  0.000  0.237  0.858  1.0
  O  O16  1  0.500  0.878  0.855  1.0
  O  O17  1  0.500  0.880  0.430  1.0
  O  O18  1  0.000  0.883  0.635  1.0
  O  O19  1  0.000  0.838  0.242  1.0
  O  O20  1  0.000  0.841  0.043  1.0
  O  O21  1  0.000  0.659  0.539  1.0
  O  O22  1  0.000  0.665  0.738  1.0
  O  O23  1  0.000  0.617  0.146  1.0
  O  O24  1  0.500  0.632  0.927  1.0
  O  O25  1  0.500  0.615  0.348  1.0
  O  O26  1  0.500  0.375  0.647  1.0
  O  O27  1  0.500  0.375  0.080  1.0
  O  O28  1  0.000  0.379  0.858  1.0
  O  O29  1  0.000  0.349  0.264  1.0
  O  O30  1  0.000  0.349  0.462  1.0
  O  O31  1  0.000  0.153  0.957  1.0
  O  O32  1  0.000  0.159  0.760  1.0
  O  O33  1  0.000  0.126  0.363  1.0
  O  O34  1  0.500  0.123  0.569  1.0
  O  O35  1  0.500  0.120  0.143  1.0
[/CIF]
.