The material structure described by Li3V3(BO5)2 crystallizes in the triclinic P1 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 range from 66-72°. 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 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 Li(5)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-72°. 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 V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-68°. 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 V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-19°. In the fifth Li site, Li(5) is bonded to one O(15), one O(17), two equivalent O(11), and two equivalent O(19) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)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 Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-58°. 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 57-66°. 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 Li(5)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(3)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 11-18°. 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 distorted 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 V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-61°. 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 56-68°. In the fifth V site, V(5) is bonded to one O(11), one O(9), two equivalent O(13), and two equivalent O(7) atoms to form distorted VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. 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 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 17-63°. 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 distorted OLi2V2 trigonal pyramids that share  a cornercorner with one O(19)Li3V2 square pyramid, corners with two equivalent O(9)Li2V3 square pyramids,  a cornercorner with one O(20)Li2V2 tetrahedra, corners with two equivalent O(1)Li2V2 trigonal pyramids, corners with two equivalent O(17)Li3B trigonal pyramids, and  an edgeedge with one O(9)Li2V3 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)Li3V2 square pyramids,  a cornercorner with one O(20)Li2V2 tetrahedra, corners with two equivalent O(10)LiV3 trigonal pyramids,  an edgeedge with one O(19)Li3V2 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 distorted 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 4-coordinate geometry to one V(2), two equivalent V(5), and one B(2) atom. In the eighth O site, O(8) is bonded to one Li(4), two equivalent V(4), and one B(1) atom to form distorted OLiV2B trigonal pyramids that share corners with two equivalent O(9)Li2V3 square pyramids,  a cornercorner with one O(13)LiV2B trigonal pyramid, corners with two equivalent O(8)LiV2B trigonal pyramids, corners with two equivalent O(10)LiV3 trigonal pyramids, and edges with two equivalent O(12)Li2V3 square pyramids. In the ninth O site, O(9) is bonded to two equivalent Li(4), one V(5), and two equivalent V(2) atoms to form OLi2V3 square pyramids that share corners with two equivalent O(12)Li2V3 square pyramids, corners with two equivalent O(1)Li2V2 trigonal pyramids, corners with two equivalent O(8)LiV2B trigonal pyramids,  an edgeedge with one O(12)Li2V3 square pyramid, edges with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(1)Li2V2 trigonal pyramid, and edges with two equivalent O(13)LiV2B trigonal pyramids. 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  a cornercorner with one O(12)Li2V3 square pyramid, corners with two equivalent O(2)LiV4 square pyramids, corners with two equivalent O(8)LiV2B trigonal pyramids, 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 in a rectangular see-saw-like geometry to one Li(3), two equivalent Li(5), and one V(5) atom. 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 square pyramids that share corners with two equivalent O(9)Li2V3 square pyramids, corners with two equivalent O(20)Li2V2 tetrahedra,  a cornercorner with one O(10)LiV3 trigonal pyramid, corners with two equivalent O(13)LiV2B trigonal pyramids,  an edgeedge with one O(9)Li2V3 square pyramid, edges with two equivalent O(12)Li2V3 square pyramids,  an edgeedge with one O(20)Li2V2 tetrahedra, and edges with two equivalent O(8)LiV2B trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Li(4), two equivalent V(5), and one B(4) atom to form distorted OLiV2B trigonal pyramids that share corners with two equivalent O(12)Li2V3 square pyramids,  a cornercorner with one O(17)Li3B trigonal pyramid,  a cornercorner with one O(8)LiV2B trigonal pyramid, corners with two equivalent O(13)LiV2B trigonal pyramids, and edges with two equivalent O(9)Li2V3 square pyramids. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like 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 one Li(5), two equivalent Li(3), 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 one Li(5), two equivalent Li(2), and one B(4) atom to form distorted OLi3B trigonal pyramids that share  a cornercorner with one O(13)LiV2B trigonal pyramid, corners with two equivalent O(1)Li2V2 trigonal pyramids, corners with two equivalent O(17)Li3B trigonal pyramids, and edges with two equivalent O(19)Li3V2 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 Li(5), and two equivalent V(1) atoms to form distorted OLi3V2 square pyramids that share corners with two equivalent O(2)LiV4 square pyramids,  a cornercorner with one O(1)Li2V2 trigonal pyramid,  an edgeedge with one O(2)LiV4 square pyramid, edges with two equivalent O(19)Li3V2 square pyramids, and edges with two equivalent O(17)Li3B trigonal pyramids. 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 tetrahedra that share  a cornercorner with one O(2)LiV4 square pyramid, corners with two equivalent O(12)Li2V3 square pyramids, corners with two equivalent O(20)Li2V2 tetrahedra,  a cornercorner with one O(1)Li2V2 trigonal pyramid, and  an edgeedge with one O(12)Li2V3 square pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V3(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.014
_cell_length_b   9.338
_cell_length_c   12.165
_cell_angle_alpha   88.533
_cell_angle_beta   89.758
_cell_angle_gamma   89.262
_symmetry_Int_Tables_number   1
_cell_volume   342.219
_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  0.999  0.002  1.000  1.0
  Li  Li1  1  0.003  0.018  0.723  1.0
  Li  Li2  1  0.998  0.484  0.496  1.0
  Li  Li3  1  0.501  0.500  0.001  1.0
  Li  Li4  1  0.503  0.271  0.616  1.0
  Li  Li5  1  0.998  0.998  0.281  1.0
  V  V6  1  0.484  0.005  0.503  1.0
  V  V7  1  0.482  0.765  0.891  1.0
  V  V8  1  0.497  0.738  0.388  1.0
  V  V9  1  0.003  0.497  0.218  1.0
  V  V10  1  1.000  0.496  0.779  1.0
  V  V11  1  0.519  0.234  0.110  1.0
  B  B12  1  0.502  0.769  0.142  1.0
  B  B13  1  0.501  0.728  0.632  1.0
  B  B14  1  0.500  0.272  0.370  1.0
  B  B15  1  0.498  0.226  0.856  1.0
  O  O16  1  0.018  0.879  0.855  1.0
  O  O17  1  0.994  0.885  0.431  1.0
  O  O18  1  0.510  0.874  0.637  1.0
  O  O19  1  0.497  0.843  0.237  1.0
  O  O20  1  0.513  0.841  0.040  1.0
  O  O21  1  0.499  0.650  0.540  1.0
  O  O22  1  0.496  0.649  0.739  1.0
  O  O23  1  0.502  0.617  0.144  1.0
  O  O24  1  0.986  0.621  0.919  1.0
  O  O25  1  0.002  0.612  0.346  1.0
  O  O26  1  0.001  0.412  0.659  1.0
  O  O27  1  0.013  0.377  0.079  1.0
  O  O28  1  0.503  0.384  0.853  1.0
  O  O29  1  0.503  0.346  0.261  1.0
  O  O30  1  0.502  0.350  0.459  1.0
  O  O31  1  0.482  0.161  0.961  1.0
  O  O32  1  0.503  0.154  0.764  1.0
  O  O33  1  0.495  0.123  0.365  1.0
  O  O34  1  0.010  0.099  0.561  1.0
  O  O35  1  0.982  0.119  0.145  1.0
[/CIF]
.
The material structure described by Li3V3(BO5)2 crystallizes in the triclinic P1 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 range from 66-72°. 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 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 Li(5)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-72°. 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 V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-68°. 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 V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-19°. In the fifth Li site, Li(5) is bonded to one O(15), one O(17), two equivalent O(11), and two equivalent O(19) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)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 Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-58°. 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 57-66°. 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 Li(5)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(3)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 11-18°. 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 distorted 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 V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-61°. 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 56-68°. In the fifth V site, V(5) is bonded to one O(11), one O(9), two equivalent O(13), and two equivalent O(7) atoms to form distorted VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. 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 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 17-63°. 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 distorted OLi2V2 trigonal pyramids that share  a cornercorner with one O(19)Li3V2 square pyramid, corners with two equivalent O(9)Li2V3 square pyramids,  a cornercorner with one O(20)Li2V2 tetrahedra, corners with two equivalent O(1)Li2V2 trigonal pyramids, corners with two equivalent O(17)Li3B trigonal pyramids, and  an edgeedge with one O(9)Li2V3 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)Li3V2 square pyramids,  a cornercorner with one O(20)Li2V2 tetrahedra, corners with two equivalent O(10)LiV3 trigonal pyramids,  an edgeedge with one O(19)Li3V2 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 distorted 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 4-coordinate geometry to one V(2), two equivalent V(5), and one B(2) atom. In the eighth O site, O(8) is bonded to one Li(4), two equivalent V(4), and one B(1) atom to form distorted OLiV2B trigonal pyramids that share corners with two equivalent O(9)Li2V3 square pyramids,  a cornercorner with one O(13)LiV2B trigonal pyramid, corners with two equivalent O(8)LiV2B trigonal pyramids, corners with two equivalent O(10)LiV3 trigonal pyramids, and edges with two equivalent O(12)Li2V3 square pyramids. In the ninth O site, O(9) is bonded to two equivalent Li(4), one V(5), and two equivalent V(2) atoms to form OLi2V3 square pyramids that share corners with two equivalent O(12)Li2V3 square pyramids, corners with two equivalent O(1)Li2V2 trigonal pyramids, corners with two equivalent O(8)LiV2B trigonal pyramids,  an edgeedge with one O(12)Li2V3 square pyramid, edges with two equivalent O(9)Li2V3 square pyramids,  an edgeedge with one O(1)Li2V2 trigonal pyramid, and edges with two equivalent O(13)LiV2B trigonal pyramids. 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  a cornercorner with one O(12)Li2V3 square pyramid, corners with two equivalent O(2)LiV4 square pyramids, corners with two equivalent O(8)LiV2B trigonal pyramids, 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 in a rectangular see-saw-like geometry to one Li(3), two equivalent Li(5), and one V(5) atom. 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 square pyramids that share corners with two equivalent O(9)Li2V3 square pyramids, corners with two equivalent O(20)Li2V2 tetrahedra,  a cornercorner with one O(10)LiV3 trigonal pyramid, corners with two equivalent O(13)LiV2B trigonal pyramids,  an edgeedge with one O(9)Li2V3 square pyramid, edges with two equivalent O(12)Li2V3 square pyramids,  an edgeedge with one O(20)Li2V2 tetrahedra, and edges with two equivalent O(8)LiV2B trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Li(4), two equivalent V(5), and one B(4) atom to form distorted OLiV2B trigonal pyramids that share corners with two equivalent O(12)Li2V3 square pyramids,  a cornercorner with one O(17)Li3B trigonal pyramid,  a cornercorner with one O(8)LiV2B trigonal pyramid, corners with two equivalent O(13)LiV2B trigonal pyramids, and edges with two equivalent O(9)Li2V3 square pyramids. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like 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 one Li(5), two equivalent Li(3), 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 one Li(5), two equivalent Li(2), and one B(4) atom to form distorted OLi3B trigonal pyramids that share  a cornercorner with one O(13)LiV2B trigonal pyramid, corners with two equivalent O(1)Li2V2 trigonal pyramids, corners with two equivalent O(17)Li3B trigonal pyramids, and edges with two equivalent O(19)Li3V2 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 Li(5), and two equivalent V(1) atoms to form distorted OLi3V2 square pyramids that share corners with two equivalent O(2)LiV4 square pyramids,  a cornercorner with one O(1)Li2V2 trigonal pyramid,  an edgeedge with one O(2)LiV4 square pyramid, edges with two equivalent O(19)Li3V2 square pyramids, and edges with two equivalent O(17)Li3B trigonal pyramids. 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 tetrahedra that share  a cornercorner with one O(2)LiV4 square pyramid, corners with two equivalent O(12)Li2V3 square pyramids, corners with two equivalent O(20)Li2V2 tetrahedra,  a cornercorner with one O(1)Li2V2 trigonal pyramid, and  an edgeedge with one O(12)Li2V3 square pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V3(BO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.014
_cell_length_b   9.338
_cell_length_c   12.165
_cell_angle_alpha   88.533
_cell_angle_beta   89.758
_cell_angle_gamma   89.262
_symmetry_Int_Tables_number   1
_cell_volume   342.219
_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  0.999  0.002  1.000  1.0
  Li  Li1  1  0.003  0.018  0.723  1.0
  Li  Li2  1  0.998  0.484  0.496  1.0
  Li  Li3  1  0.501  0.500  0.001  1.0
  Li  Li4  1  0.503  0.271  0.616  1.0
  Li  Li5  1  0.998  0.998  0.281  1.0
  V  V6  1  0.484  0.005  0.503  1.0
  V  V7  1  0.482  0.765  0.891  1.0
  V  V8  1  0.497  0.738  0.388  1.0
  V  V9  1  0.003  0.497  0.218  1.0
  V  V10  1  1.000  0.496  0.779  1.0
  V  V11  1  0.519  0.234  0.110  1.0
  B  B12  1  0.502  0.769  0.142  1.0
  B  B13  1  0.501  0.728  0.632  1.0
  B  B14  1  0.500  0.272  0.370  1.0
  B  B15  1  0.498  0.226  0.856  1.0
  O  O16  1  0.018  0.879  0.855  1.0
  O  O17  1  0.994  0.885  0.431  1.0
  O  O18  1  0.510  0.874  0.637  1.0
  O  O19  1  0.497  0.843  0.237  1.0
  O  O20  1  0.513  0.841  0.040  1.0
  O  O21  1  0.499  0.650  0.540  1.0
  O  O22  1  0.496  0.649  0.739  1.0
  O  O23  1  0.502  0.617  0.144  1.0
  O  O24  1  0.986  0.621  0.919  1.0
  O  O25  1  0.002  0.612  0.346  1.0
  O  O26  1  0.001  0.412  0.659  1.0
  O  O27  1  0.013  0.377  0.079  1.0
  O  O28  1  0.503  0.384  0.853  1.0
  O  O29  1  0.503  0.346  0.261  1.0
  O  O30  1  0.502  0.350  0.459  1.0
  O  O31  1  0.482  0.161  0.961  1.0
  O  O32  1  0.503  0.154  0.764  1.0
  O  O33  1  0.495  0.123  0.365  1.0
  O  O34  1  0.010  0.099  0.561  1.0
  O  O35  1  0.982  0.119  0.145  1.0
[/CIF]
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