The crystal structure described by Li5V5O12 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(11), one O(14), one O(22), and one O(3) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(10)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-18°. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(12), one O(13), one O(2), and one O(23) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(10)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(8)O6 octahedra, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-25°. In the third Li site, Li(3) is bonded to one O(12), one O(15), one O(18), one O(2), one O(4), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(10)O6 octahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid,  an edgeedge with one Li(6)O5 trigonal bipyramid, and edges with two equivalent Li(9)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the fourth Li site, Li(4) is bonded to one O(15), one O(17), one O(3), one O(5), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-94°. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(17), one O(18), one O(19), one O(5), one O(8), and one O(9) atom. In the sixth Li site, Li(6) is bonded to one O(16), one O(18), one O(20), one O(4), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(10)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Li(9)O5 trigonal bipyramids,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-84°. In the seventh Li site, Li(7) is bonded to one O(10), one O(14), one O(15), one O(22), one O(24), and one O(3) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra,  an edgeedge with one V(9)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-18°. In the eighth Li site, Li(8) is bonded to one O(1), one O(10), one O(16), one O(17), one O(3), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-18°. In the ninth Li site, Li(9) is bonded to one O(1), one O(12), one O(18), one O(2), and one O(4) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Li(6)O5 trigonal bipyramids,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-89°. In the tenth Li site, Li(10) is bonded to one O(16), one O(20), one O(21), one O(4), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and  an edgeedge with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-21°. There are ten inequivalent V sites. In the first V site, V(1) is bonded to one O(18), one O(19), one O(20), one O(4), one O(5), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra,  an edgeedge with one Li(9)O5 trigonal bipyramid, and edges with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-20°. In the second V site, V(2) is bonded to one O(11), one O(20), one O(22), one O(23), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra, corners with two equivalent Li(6)O5 trigonal bipyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-18°. In the third V site, V(3) is bonded to one O(14), one O(21), one O(22), one O(24), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. In the fourth V site, V(4) is bonded to one O(13), one O(14), one O(15), one O(2), one O(24), and one O(3) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(10)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-20°. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(12), one O(16), one O(4), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(8)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-17°. In the sixth V site, V(6) is bonded to one O(16), one O(17), one O(21), one O(6), one O(7), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(10)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-18°. In the seventh V site, V(7) is bonded to one O(11), one O(13), one O(19), one O(20), one O(23), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(8)O6 octahedra,  an edgeedge with one V(9)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-25°. In the eighth V site, V(8) is bonded to one O(1), one O(10), one O(11), one O(12), one O(22), and one O(23) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-14°. In the ninth V site, V(9) is bonded to one O(13), one O(14), one O(19), one O(21), one O(24), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the tenth V site, V(10) is bonded to one O(15), one O(17), one O(18), one O(2), one O(3), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(9)O5 trigonal bipyramid, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-15°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(8), one Li(9), one V(5), and one V(8) atom to form OLi4V2 octahedra that share  a cornercorner with one O(18)Li4V2 octahedra,  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid, corners with two equivalent O(16)Li3V2 square pyramids,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(22)Li2V3 square pyramid,  an edgeedge with one O(2)Li3V2 square pyramid,  an edgeedge with one O(6)Li3V2 square pyramid, edges with two equivalent O(10)Li3V2 square pyramids, and edges with two equivalent O(12)Li3V2 square pyramids. The corner-sharing octahedral tilt angles are 12°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(9), one V(10), and one V(4) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(18)Li4V2 octahedra,  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(18)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(15)Li3V2 square pyramid, and  an edgeedge with one O(5)Li3V2 square pyramid. The corner-sharing octahedral tilt angles are 14°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(7), one Li(8), one V(10), and one V(4) atom to form OLi4V2 octahedra that share  a cornercorner with one O(18)Li4V2 octahedra,  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(22)Li2V3 square pyramid,  an edgeedge with one O(10)Li3V2 square pyramid,  an edgeedge with one O(17)Li3V2 square pyramid,  an edgeedge with one O(2)Li3V2 square pyramid,  an edgeedge with one O(5)Li3V2 square pyramid,  an edgeedge with one O(6)Li3V2 square pyramid, and edges with two equivalent O(15)Li3V2 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O(4) is bonded to one Li(10), one Li(3), one Li(6), one Li(9), one V(1), and one V(5) atom to form OLi4V2 octahedra that share  a cornercorner with one O(20)Li2V3 square pyramid,  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid,  a cornercorner with one O(19)LiV3 trigonal pyramid,  an edgeedge with one O(1)Li4V2 octahedra, edges with two equivalent O(18)Li4V2 octahedra,  an edgeedge with one O(20)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(16)Li3V2 square pyramid,  an edgeedge with one O(2)Li3V2 square pyramid,  an edgeedge with one O(5)Li3V2 square pyramid, and  an edgeedge with one O(6)Li3V2 square pyramid. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Li(5), one V(1), and one V(10) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(20)Li2V3 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid,  a cornercorner with one O(6)Li3V2 square pyramid, corners with two equivalent O(19)LiV3 trigonal pyramids,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra, edges with two equivalent O(18)Li4V2 octahedra,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(15)Li3V2 square pyramid,  an edgeedge with one O(17)Li3V2 square pyramid, and  an edgeedge with one O(2)Li3V2 square pyramid. In the sixth O site, O(6) is bonded to one Li(10), one Li(4), one Li(8), one V(5), and one V(6) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(20)Li2V3 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid,  a cornercorner with one O(5)Li3V2 square pyramid, corners with two equivalent O(10)Li3V2 square pyramids,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(17)Li3V2 square pyramid, and edges with two equivalent O(16)Li3V2 square pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(10), one V(2), one V(3), and one V(6) atom. In the eighth O site, O(8) is bonded to one Li(5), one Li(6), one V(1), one V(2), and one V(7) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(18)Li4V2 octahedra,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid,  a cornercorner with one O(19)LiV3 trigonal pyramid,  an edgeedge with one O(18)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(5)Li3V2 square pyramid, edges with two equivalent O(20)Li2V3 square pyramids, and  an edgeedge with one O(19)LiV3 trigonal pyramid. The corner-sharing octahedral tilt angles are 10°. In the ninth O site, O(9) is bonded in a see-saw-like geometry to one Li(5), one V(3), one V(6), and one V(9) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(7), one Li(8), one V(5), and one V(8) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid, corners with two equivalent O(6)Li3V2 square pyramids,  an edgeedge with one O(3)Li4V2 octahedra, edges with two equivalent O(1)Li4V2 octahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(22)Li2V3 square pyramid,  an edgeedge with one O(12)Li3V2 square pyramid, and  an edgeedge with one O(16)Li3V2 square pyramid. The corner-sharing octahedral tilt angles range from 12-76°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one V(2), one V(7), and one V(8) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(1)Li4V2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(2)Li3V2 square pyramid, corners with two equivalent O(20)Li2V3 square pyramids,  a cornercorner with one O(19)LiV3 trigonal pyramid,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(22)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(10)Li3V2 square pyramid, and  an edgeedge with one O(12)Li3V2 square pyramid. The corner-sharing octahedral tilt angles range from 4-8°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Li(9), one V(5), and one V(8) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid,  a cornercorner with one O(2)Li3V2 square pyramid,  a cornercorner with one O(5)Li3V2 square pyramid,  a cornercorner with one O(6)Li3V2 square pyramid,  an edgeedge with one O(18)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra, edges with two equivalent O(1)Li4V2 octahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(10)Li3V2 square pyramid, and  an edgeedge with one O(2)Li3V2 square pyramid. The corner-sharing octahedral tilt angles are 20°. In the thirteenth O site, O(13) is bonded in a distorted square co-planar geometry to one Li(2), one V(4), one V(7), and one V(9) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(7), one V(3), one V(4), and one V(9) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(1)Li4V2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(2)Li3V2 square pyramid,  a cornercorner with one O(19)LiV3 trigonal pyramid,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(22)Li2V3 square pyramid,  an edgeedge with one O(10)Li3V2 square pyramid, and  an edgeedge with one O(15)Li3V2 square pyramid. The corner-sharing octahedral tilt angles range from 9-16°. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(4), one Li(7), one V(10), and one V(4) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(2)Li3V2 square pyramid,  a cornercorner with one O(5)Li3V2 square pyramid,  a cornercorner with one O(6)Li3V2 square pyramid,  an edgeedge with one O(18)Li4V2 octahedra, edges with two equivalent O(3)Li4V2 octahedra,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(17)Li3V2 square pyramid,  an edgeedge with one O(2)Li3V2 square pyramid, and  an edgeedge with one O(5)Li3V2 square pyramid. The corner-sharing octahedral tilt angles are 9°. In the sixteenth O site, O(16) is bonded to one Li(10), one Li(6), one Li(8), one V(5), and one V(6) atom to form distorted OLi3V2 square pyramids that share  a cornercorner with one O(18)Li4V2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra, corners with two equivalent O(1)Li4V2 octahedra,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(20)Li2V3 square pyramid,  an edgeedge with one O(10)Li3V2 square pyramid,  an edgeedge with one O(17)Li3V2 square pyramid, and edges with two equivalent O(6)Li3V2 square pyramids. The corner-sharing octahedral tilt angles range from 9-85°. In the seventeenth O site, O(17) is bonded to one Li(4), one Li(5), one Li(8), one V(10), and one V(6) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(1)Li4V2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(2)Li3V2 square pyramid,  a cornercorner with one O(5)Li3V2 square pyramid,  a cornercorner with one O(6)Li3V2 square pyramid,  a cornercorner with one O(19)LiV3 trigonal pyramid,  an edgeedge with one O(18)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(15)Li3V2 square pyramid,  an edgeedge with one O(16)Li3V2 square pyramid,  an edgeedge with one O(5)Li3V2 square pyramid, and  an edgeedge with one O(6)Li3V2 square pyramid. The corner-sharing octahedral tilt angles range from 6-9°. In the eighteenth O site, O(18) is bonded to one Li(3), one Li(5), one Li(6), one Li(9), one V(1), and one V(10) atom to form OLi4V2 octahedra that share  a cornercorner with one O(1)Li4V2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid,  a cornercorner with one O(2)Li3V2 square pyramid, edges with two equivalent O(4)Li4V2 octahedra,  an edgeedge with one O(20)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(15)Li3V2 square pyramid,  an edgeedge with one O(17)Li3V2 square pyramid,  an edgeedge with one O(2)Li3V2 square pyramid, edges with two equivalent O(5)Li3V2 square pyramids, and  an edgeedge with one O(19)LiV3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 4-12°. In the nineteenth O site, O(19) is bonded to one Li(5), one V(1), one V(7), and one V(9) atom to form OLiV3 trigonal pyramids that share  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid, corners with two equivalent O(5)Li3V2 square pyramids,  an edgeedge with one O(18)Li4V2 octahedra,  an edgeedge with one O(20)Li2V3 square pyramid, and  an edgeedge with one O(8)Li2V3 square pyramid. The corner-sharing octahedral tilt angles are 11°. In the twentieth O site, O(20) is bonded to one Li(10), one Li(6), one V(1), one V(2), and one V(7) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(5)Li3V2 square pyramid,  a cornercorner with one O(6)Li3V2 square pyramid, corners with two equivalent O(11)Li2V3 square pyramids,  an edgeedge with one O(18)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(16)Li3V2 square pyramid, edges with two equivalent O(8)Li2V3 square pyramids, and  an edgeedge with one O(19)LiV3 trigonal pyramid. The corner-sharing octahedral tilt angles are 4°. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Li(10), one V(3), one V(6), and one V(9) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(7), one V(2), one V(3), and one V(8) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(20)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(14)Li2V3 square pyramid, and  an edgeedge with one O(10)Li3V2 square pyramid. In the twenty-third O site, O(23) is bonded in a distorted see-saw-like geometry to one Li(2), one V(2), one V(7), and one V(8) atom. In the twenty-fourth O site, O(24) is bonded in a distorted rectangular see-saw-like geometry to one Li(7), one V(3), one V(4), and one V(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.057
_cell_length_b   9.202
_cell_length_c   9.463
_cell_angle_alpha   84.512
_cell_angle_beta   86.258
_cell_angle_gamma   84.959
_symmetry_Int_Tables_number   1
_cell_volume   435.935
_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  0.254  0.073  0.005  1.0
  Li  Li1  1  0.224  0.428  0.000  1.0
  Li  Li2  1  0.395  0.534  0.247  1.0
  Li  Li3  1  0.330  0.865  0.269  1.0
  Li  Li4  1  0.477  0.678  0.501  1.0
  Li  Li5  1  0.531  0.340  0.488  1.0
  Li  Li6  1  0.735  0.922  0.009  1.0
  Li  Li7  1  0.891  0.041  0.249  1.0
  Li  Li8  1  0.884  0.399  0.229  1.0
  Li  Li9  1  0.985  0.169  0.492  1.0
  V  V10  1  0.003  0.513  0.496  1.0
  V  V11  1  0.152  0.284  0.746  1.0
  V  V12  1  0.101  0.964  0.743  1.0
  V  V13  1  0.269  0.741  0.018  1.0
  V  V14  1  0.356  0.214  0.255  1.0
  V  V15  1  0.529  0.993  0.488  1.0
  V  V16  1  0.617  0.460  0.751  1.0
  V  V17  1  0.747  0.246  0.008  1.0
  V  V18  1  0.642  0.777  0.762  1.0
  V  V19  1  0.863  0.708  0.250  1.0
  O  O20  1  0.055  0.228  0.126  1.0
  O  O21  1  0.080  0.586  0.117  1.0
  O  O22  1  0.040  0.872  0.135  1.0
  O  O23  1  0.197  0.358  0.364  1.0
  O  O24  1  0.163  0.660  0.395  1.0
  O  O25  1  0.227  0.045  0.363  1.0
  O  O26  1  0.282  0.128  0.636  1.0
  O  O27  1  0.303  0.448  0.632  1.0
  O  O28  1  0.366  0.843  0.627  1.0
  O  O29  1  0.572  0.091  0.113  1.0
  O  O30  1  0.446  0.290  0.867  1.0
  O  O31  1  0.553  0.369  0.130  1.0
  O  O32  1  0.460  0.625  0.866  1.0
  O  O33  1  0.396  0.909  0.881  1.0
  O  O34  1  0.540  0.738  0.128  1.0
  O  O35  1  0.654  0.168  0.388  1.0
  O  O36  1  0.668  0.857  0.378  1.0
  O  O37  1  0.712  0.537  0.369  1.0
  O  O38  1  0.776  0.626  0.634  1.0
  O  O39  1  0.853  0.339  0.609  1.0
  O  O40  1  0.821  0.968  0.632  1.0
  O  O41  1  0.969  0.114  0.870  1.0
  O  O42  1  0.922  0.395  0.875  1.0
  O  O43  1  0.934  0.798  0.861  1.0
[/CIF]
.
The crystal structure described by Li5V5O12 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(11), one O(14), one O(22), and one O(3) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(10)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-18°. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(12), one O(13), one O(2), and one O(23) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(10)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(8)O6 octahedra, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-25°. In the third Li site, Li(3) is bonded to one O(12), one O(15), one O(18), one O(2), one O(4), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(10)O6 octahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid,  an edgeedge with one Li(6)O5 trigonal bipyramid, and edges with two equivalent Li(9)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the fourth Li site, Li(4) is bonded to one O(15), one O(17), one O(3), one O(5), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-94°. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(17), one O(18), one O(19), one O(5), one O(8), and one O(9) atom. In the sixth Li site, Li(6) is bonded to one O(16), one O(18), one O(20), one O(4), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(10)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Li(9)O5 trigonal bipyramids,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-84°. In the seventh Li site, Li(7) is bonded to one O(10), one O(14), one O(15), one O(22), one O(24), and one O(3) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra,  an edgeedge with one V(9)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-18°. In the eighth Li site, Li(8) is bonded to one O(1), one O(10), one O(16), one O(17), one O(3), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-18°. In the ninth Li site, Li(9) is bonded to one O(1), one O(12), one O(18), one O(2), and one O(4) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Li(6)O5 trigonal bipyramids,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-89°. In the tenth Li site, Li(10) is bonded to one O(16), one O(20), one O(21), one O(4), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and  an edgeedge with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-21°. There are ten inequivalent V sites. In the first V site, V(1) is bonded to one O(18), one O(19), one O(20), one O(4), one O(5), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(7)O6 octahedra,  an edgeedge with one Li(9)O5 trigonal bipyramid, and edges with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-20°. In the second V site, V(2) is bonded to one O(11), one O(20), one O(22), one O(23), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra, corners with two equivalent Li(6)O5 trigonal bipyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-18°. In the third V site, V(3) is bonded to one O(14), one O(21), one O(22), one O(24), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-18°. In the fourth V site, V(4) is bonded to one O(13), one O(14), one O(15), one O(2), one O(24), and one O(3) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(10)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-20°. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(12), one O(16), one O(4), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(8)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-17°. In the sixth V site, V(6) is bonded to one O(16), one O(17), one O(21), one O(6), one O(7), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one V(10)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-18°. In the seventh V site, V(7) is bonded to one O(11), one O(13), one O(19), one O(20), one O(23), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(8)O6 octahedra,  an edgeedge with one V(9)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-25°. In the eighth V site, V(8) is bonded to one O(1), one O(10), one O(11), one O(12), one O(22), and one O(23) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-14°. In the ninth V site, V(9) is bonded to one O(13), one O(14), one O(19), one O(21), one O(24), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the tenth V site, V(10) is bonded to one O(15), one O(17), one O(18), one O(2), one O(3), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(9)O5 trigonal bipyramid, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-15°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(8), one Li(9), one V(5), and one V(8) atom to form OLi4V2 octahedra that share  a cornercorner with one O(18)Li4V2 octahedra,  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid, corners with two equivalent O(16)Li3V2 square pyramids,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(22)Li2V3 square pyramid,  an edgeedge with one O(2)Li3V2 square pyramid,  an edgeedge with one O(6)Li3V2 square pyramid, edges with two equivalent O(10)Li3V2 square pyramids, and edges with two equivalent O(12)Li3V2 square pyramids. The corner-sharing octahedral tilt angles are 12°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(9), one V(10), and one V(4) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(18)Li4V2 octahedra,  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(18)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(15)Li3V2 square pyramid, and  an edgeedge with one O(5)Li3V2 square pyramid. The corner-sharing octahedral tilt angles are 14°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(7), one Li(8), one V(10), and one V(4) atom to form OLi4V2 octahedra that share  a cornercorner with one O(18)Li4V2 octahedra,  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(22)Li2V3 square pyramid,  an edgeedge with one O(10)Li3V2 square pyramid,  an edgeedge with one O(17)Li3V2 square pyramid,  an edgeedge with one O(2)Li3V2 square pyramid,  an edgeedge with one O(5)Li3V2 square pyramid,  an edgeedge with one O(6)Li3V2 square pyramid, and edges with two equivalent O(15)Li3V2 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O(4) is bonded to one Li(10), one Li(3), one Li(6), one Li(9), one V(1), and one V(5) atom to form OLi4V2 octahedra that share  a cornercorner with one O(20)Li2V3 square pyramid,  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid,  a cornercorner with one O(19)LiV3 trigonal pyramid,  an edgeedge with one O(1)Li4V2 octahedra, edges with two equivalent O(18)Li4V2 octahedra,  an edgeedge with one O(20)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(16)Li3V2 square pyramid,  an edgeedge with one O(2)Li3V2 square pyramid,  an edgeedge with one O(5)Li3V2 square pyramid, and  an edgeedge with one O(6)Li3V2 square pyramid. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Li(5), one V(1), and one V(10) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(20)Li2V3 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid,  a cornercorner with one O(6)Li3V2 square pyramid, corners with two equivalent O(19)LiV3 trigonal pyramids,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra, edges with two equivalent O(18)Li4V2 octahedra,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(15)Li3V2 square pyramid,  an edgeedge with one O(17)Li3V2 square pyramid, and  an edgeedge with one O(2)Li3V2 square pyramid. In the sixth O site, O(6) is bonded to one Li(10), one Li(4), one Li(8), one V(5), and one V(6) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(20)Li2V3 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid,  a cornercorner with one O(5)Li3V2 square pyramid, corners with two equivalent O(10)Li3V2 square pyramids,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(17)Li3V2 square pyramid, and edges with two equivalent O(16)Li3V2 square pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(10), one V(2), one V(3), and one V(6) atom. In the eighth O site, O(8) is bonded to one Li(5), one Li(6), one V(1), one V(2), and one V(7) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(18)Li4V2 octahedra,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid,  a cornercorner with one O(19)LiV3 trigonal pyramid,  an edgeedge with one O(18)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(5)Li3V2 square pyramid, edges with two equivalent O(20)Li2V3 square pyramids, and  an edgeedge with one O(19)LiV3 trigonal pyramid. The corner-sharing octahedral tilt angles are 10°. In the ninth O site, O(9) is bonded in a see-saw-like geometry to one Li(5), one V(3), one V(6), and one V(9) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(7), one Li(8), one V(5), and one V(8) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid, corners with two equivalent O(6)Li3V2 square pyramids,  an edgeedge with one O(3)Li4V2 octahedra, edges with two equivalent O(1)Li4V2 octahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(22)Li2V3 square pyramid,  an edgeedge with one O(12)Li3V2 square pyramid, and  an edgeedge with one O(16)Li3V2 square pyramid. The corner-sharing octahedral tilt angles range from 12-76°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one V(2), one V(7), and one V(8) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(1)Li4V2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(2)Li3V2 square pyramid, corners with two equivalent O(20)Li2V3 square pyramids,  a cornercorner with one O(19)LiV3 trigonal pyramid,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(22)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(10)Li3V2 square pyramid, and  an edgeedge with one O(12)Li3V2 square pyramid. The corner-sharing octahedral tilt angles range from 4-8°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Li(9), one V(5), and one V(8) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid,  a cornercorner with one O(2)Li3V2 square pyramid,  a cornercorner with one O(5)Li3V2 square pyramid,  a cornercorner with one O(6)Li3V2 square pyramid,  an edgeedge with one O(18)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra, edges with two equivalent O(1)Li4V2 octahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(10)Li3V2 square pyramid, and  an edgeedge with one O(2)Li3V2 square pyramid. The corner-sharing octahedral tilt angles are 20°. In the thirteenth O site, O(13) is bonded in a distorted square co-planar geometry to one Li(2), one V(4), one V(7), and one V(9) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(7), one V(3), one V(4), and one V(9) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(1)Li4V2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(2)Li3V2 square pyramid,  a cornercorner with one O(19)LiV3 trigonal pyramid,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(22)Li2V3 square pyramid,  an edgeedge with one O(10)Li3V2 square pyramid, and  an edgeedge with one O(15)Li3V2 square pyramid. The corner-sharing octahedral tilt angles range from 9-16°. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(4), one Li(7), one V(10), and one V(4) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(2)Li3V2 square pyramid,  a cornercorner with one O(5)Li3V2 square pyramid,  a cornercorner with one O(6)Li3V2 square pyramid,  an edgeedge with one O(18)Li4V2 octahedra, edges with two equivalent O(3)Li4V2 octahedra,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(17)Li3V2 square pyramid,  an edgeedge with one O(2)Li3V2 square pyramid, and  an edgeedge with one O(5)Li3V2 square pyramid. The corner-sharing octahedral tilt angles are 9°. In the sixteenth O site, O(16) is bonded to one Li(10), one Li(6), one Li(8), one V(5), and one V(6) atom to form distorted OLi3V2 square pyramids that share  a cornercorner with one O(18)Li4V2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(4)Li4V2 octahedra, corners with two equivalent O(1)Li4V2 octahedra,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(20)Li2V3 square pyramid,  an edgeedge with one O(10)Li3V2 square pyramid,  an edgeedge with one O(17)Li3V2 square pyramid, and edges with two equivalent O(6)Li3V2 square pyramids. The corner-sharing octahedral tilt angles range from 9-85°. In the seventeenth O site, O(17) is bonded to one Li(4), one Li(5), one Li(8), one V(10), and one V(6) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(1)Li4V2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(2)Li3V2 square pyramid,  a cornercorner with one O(5)Li3V2 square pyramid,  a cornercorner with one O(6)Li3V2 square pyramid,  a cornercorner with one O(19)LiV3 trigonal pyramid,  an edgeedge with one O(18)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(15)Li3V2 square pyramid,  an edgeedge with one O(16)Li3V2 square pyramid,  an edgeedge with one O(5)Li3V2 square pyramid, and  an edgeedge with one O(6)Li3V2 square pyramid. The corner-sharing octahedral tilt angles range from 6-9°. In the eighteenth O site, O(18) is bonded to one Li(3), one Li(5), one Li(6), one Li(9), one V(1), and one V(10) atom to form OLi4V2 octahedra that share  a cornercorner with one O(1)Li4V2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid,  a cornercorner with one O(2)Li3V2 square pyramid, edges with two equivalent O(4)Li4V2 octahedra,  an edgeedge with one O(20)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(15)Li3V2 square pyramid,  an edgeedge with one O(17)Li3V2 square pyramid,  an edgeedge with one O(2)Li3V2 square pyramid, edges with two equivalent O(5)Li3V2 square pyramids, and  an edgeedge with one O(19)LiV3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 4-12°. In the nineteenth O site, O(19) is bonded to one Li(5), one V(1), one V(7), and one V(9) atom to form OLiV3 trigonal pyramids that share  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(17)Li3V2 square pyramid, corners with two equivalent O(5)Li3V2 square pyramids,  an edgeedge with one O(18)Li4V2 octahedra,  an edgeedge with one O(20)Li2V3 square pyramid, and  an edgeedge with one O(8)Li2V3 square pyramid. The corner-sharing octahedral tilt angles are 11°. In the twentieth O site, O(20) is bonded to one Li(10), one Li(6), one V(1), one V(2), and one V(7) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(4)Li4V2 octahedra,  a cornercorner with one O(22)Li2V3 square pyramid,  a cornercorner with one O(5)Li3V2 square pyramid,  a cornercorner with one O(6)Li3V2 square pyramid, corners with two equivalent O(11)Li2V3 square pyramids,  an edgeedge with one O(18)Li4V2 octahedra,  an edgeedge with one O(4)Li4V2 octahedra,  an edgeedge with one O(16)Li3V2 square pyramid, edges with two equivalent O(8)Li2V3 square pyramids, and  an edgeedge with one O(19)LiV3 trigonal pyramid. The corner-sharing octahedral tilt angles are 4°. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Li(10), one V(3), one V(6), and one V(9) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(7), one V(2), one V(3), and one V(8) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(20)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid,  an edgeedge with one O(1)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(14)Li2V3 square pyramid, and  an edgeedge with one O(10)Li3V2 square pyramid. In the twenty-third O site, O(23) is bonded in a distorted see-saw-like geometry to one Li(2), one V(2), one V(7), and one V(8) atom. In the twenty-fourth O site, O(24) is bonded in a distorted rectangular see-saw-like geometry to one Li(7), one V(3), one V(4), and one V(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.057
_cell_length_b   9.202
_cell_length_c   9.463
_cell_angle_alpha   84.512
_cell_angle_beta   86.258
_cell_angle_gamma   84.959
_symmetry_Int_Tables_number   1
_cell_volume   435.935
_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  0.254  0.073  0.005  1.0
  Li  Li1  1  0.224  0.428  0.000  1.0
  Li  Li2  1  0.395  0.534  0.247  1.0
  Li  Li3  1  0.330  0.865  0.269  1.0
  Li  Li4  1  0.477  0.678  0.501  1.0
  Li  Li5  1  0.531  0.340  0.488  1.0
  Li  Li6  1  0.735  0.922  0.009  1.0
  Li  Li7  1  0.891  0.041  0.249  1.0
  Li  Li8  1  0.884  0.399  0.229  1.0
  Li  Li9  1  0.985  0.169  0.492  1.0
  V  V10  1  0.003  0.513  0.496  1.0
  V  V11  1  0.152  0.284  0.746  1.0
  V  V12  1  0.101  0.964  0.743  1.0
  V  V13  1  0.269  0.741  0.018  1.0
  V  V14  1  0.356  0.214  0.255  1.0
  V  V15  1  0.529  0.993  0.488  1.0
  V  V16  1  0.617  0.460  0.751  1.0
  V  V17  1  0.747  0.246  0.008  1.0
  V  V18  1  0.642  0.777  0.762  1.0
  V  V19  1  0.863  0.708  0.250  1.0
  O  O20  1  0.055  0.228  0.126  1.0
  O  O21  1  0.080  0.586  0.117  1.0
  O  O22  1  0.040  0.872  0.135  1.0
  O  O23  1  0.197  0.358  0.364  1.0
  O  O24  1  0.163  0.660  0.395  1.0
  O  O25  1  0.227  0.045  0.363  1.0
  O  O26  1  0.282  0.128  0.636  1.0
  O  O27  1  0.303  0.448  0.632  1.0
  O  O28  1  0.366  0.843  0.627  1.0
  O  O29  1  0.572  0.091  0.113  1.0
  O  O30  1  0.446  0.290  0.867  1.0
  O  O31  1  0.553  0.369  0.130  1.0
  O  O32  1  0.460  0.625  0.866  1.0
  O  O33  1  0.396  0.909  0.881  1.0
  O  O34  1  0.540  0.738  0.128  1.0
  O  O35  1  0.654  0.168  0.388  1.0
  O  O36  1  0.668  0.857  0.378  1.0
  O  O37  1  0.712  0.537  0.369  1.0
  O  O38  1  0.776  0.626  0.634  1.0
  O  O39  1  0.853  0.339  0.609  1.0
  O  O40  1  0.821  0.968  0.632  1.0
  O  O41  1  0.969  0.114  0.870  1.0
  O  O42  1  0.922  0.395  0.875  1.0
  O  O43  1  0.934  0.798  0.861  1.0
[/CIF]
.