Li2VNiO4 is beta Polonium-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second Li site, Li(2) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Ni site, Ni(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(3), two equivalent V(1), and one Ni(1) atom to form OLi3V2Ni octahedra that share  a cornercorner with one O(3)Li3V2Ni octahedra,  a cornercorner with one O(5)Li3V2Ni octahedra, corners with two equivalent O(4)Li3VNi2 octahedra, corners with two equivalent O(6)Li3VNi2 octahedra,  an edgeedge with one O(4)Li3VNi2 octahedra,  an edgeedge with one O(6)Li3VNi2 octahedra, edges with two equivalent O(1)Li3V2Ni octahedra, edges with two equivalent O(3)Li3V2Ni octahedra, edges with two equivalent O(5)Li3V2Ni octahedra, and edges with four equivalent O(2)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(1), one V(1), and two equivalent Ni(1) atoms to form OLi3VNi2 octahedra that share  a cornercorner with one O(4)Li3VNi2 octahedra,  a cornercorner with one O(6)Li3VNi2 octahedra, corners with two equivalent O(3)Li3V2Ni octahedra, corners with two equivalent O(5)Li3V2Ni octahedra,  an edgeedge with one O(3)Li3V2Ni octahedra,  an edgeedge with one O(5)Li3V2Ni octahedra, edges with two equivalent O(2)Li3VNi2 octahedra, edges with two equivalent O(4)Li3VNi2 octahedra, edges with two equivalent O(6)Li3VNi2 octahedra, and edges with four equivalent O(1)Li3V2Ni octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(2), one V(1), one V(2), and one Ni(1) atom to form OLi3V2Ni octahedra that share  a cornercorner with one O(1)Li3V2Ni octahedra,  a cornercorner with one O(3)Li3V2Ni octahedra, corners with two equivalent O(2)Li3VNi2 octahedra, corners with two equivalent O(4)Li3VNi2 octahedra,  an edgeedge with one O(3)Li3V2Ni octahedra,  an edgeedge with one O(2)Li3VNi2 octahedra, edges with two equivalent O(1)Li3V2Ni octahedra, edges with two equivalent O(4)Li3VNi2 octahedra, edges with three equivalent O(5)Li3V2Ni octahedra, and edges with three equivalent O(6)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one V(1), one Ni(1), and one Ni(2) atom to form OLi3VNi2 octahedra that share  a cornercorner with one O(2)Li3VNi2 octahedra,  a cornercorner with one O(4)Li3VNi2 octahedra, corners with two equivalent O(1)Li3V2Ni octahedra, corners with two equivalent O(3)Li3V2Ni octahedra,  an edgeedge with one O(1)Li3V2Ni octahedra,  an edgeedge with one O(4)Li3VNi2 octahedra, edges with two equivalent O(3)Li3V2Ni octahedra, edges with two equivalent O(2)Li3VNi2 octahedra, edges with three equivalent O(5)Li3V2Ni octahedra, and edges with three equivalent O(6)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(2), and one Ni(2) atom to form OLi3V2Ni octahedra that share  a cornercorner with one O(1)Li3V2Ni octahedra,  a cornercorner with one O(6)Li3VNi2 octahedra, corners with two equivalent O(5)Li3V2Ni octahedra, corners with two equivalent O(2)Li3VNi2 octahedra,  an edgeedge with one O(2)Li3VNi2 octahedra, edges with two equivalent O(1)Li3V2Ni octahedra, edges with three equivalent O(3)Li3V2Ni octahedra, edges with three equivalent O(4)Li3VNi2 octahedra, and edges with three equivalent O(6)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one V(2), one Ni(1), and one Ni(2) atom to form OLi3VNi2 octahedra that share  a cornercorner with one O(5)Li3V2Ni octahedra,  a cornercorner with one O(2)Li3VNi2 octahedra, corners with two equivalent O(1)Li3V2Ni octahedra, corners with two equivalent O(6)Li3VNi2 octahedra,  an edgeedge with one O(1)Li3V2Ni octahedra, edges with two equivalent O(2)Li3VNi2 octahedra, edges with three equivalent O(3)Li3V2Ni octahedra, edges with three equivalent O(5)Li3V2Ni octahedra, and edges with three equivalent O(4)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°.
Li2VNiO4 is beta Polonium-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. The Li(1)-O(1) bond length is 2.20 Å. The Li(1)-O(4) bond length is 2.10 Å. The Li(1)-O(5) bond length is 2.18 Å. The Li(1)-O(6) bond length is 2.22 Å. There is one shorter (2.11 Å) and one longer (2.20 Å) Li(1)-O(2) bond length. In the second Li site, Li(2) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. The Li(2)-O(5) bond length is 2.19 Å. The Li(2)-O(6) bond length is 2.13 Å. There is one shorter (2.15 Å) and one longer (2.24 Å) Li(2)-O(3) bond length. There is one shorter (2.09 Å) and one longer (2.12 Å) Li(2)-O(4) bond length. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. The Li(3)-O(2) bond length is 2.08 Å. The Li(3)-O(3) bond length is 2.20 Å. The Li(3)-O(5) bond length is 2.09 Å. The Li(3)-O(6) bond length is 2.07 Å. There is one shorter (2.09 Å) and one longer (2.19 Å) Li(3)-O(1) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. The V(1)-O(2) bond length is 1.89 Å. The V(1)-O(3) bond length is 1.99 Å. The V(1)-O(4) bond length is 1.96 Å. The V(1)-O(5) bond length is 2.01 Å. There is one shorter (1.99 Å) and one longer (2.04 Å) V(1)-O(1) bond length. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. Both V(2)-O(3) bond lengths are 2.02 Å. Both V(2)-O(5) bond lengths are 2.00 Å. Both V(2)-O(6) bond lengths are 1.91 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. The Ni(1)-O(1) bond length is 2.09 Å. The Ni(1)-O(3) bond length is 2.08 Å. The Ni(1)-O(4) bond length is 2.06 Å. The Ni(1)-O(6) bond length is 2.09 Å. There is one shorter (2.09 Å) and one longer (2.11 Å) Ni(1)-O(2) bond length. In the second Ni site, Ni(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. Both Ni(2)-O(4) bond lengths are 2.09 Å. Both Ni(2)-O(5) bond lengths are 2.08 Å. Both Ni(2)-O(6) bond lengths are 2.09 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(3), two equivalent V(1), and one Ni(1) atom to form OLi3V2Ni octahedra that share  a cornercorner with one O(3)Li3V2Ni octahedra,  a cornercorner with one O(5)Li3V2Ni octahedra, corners with two equivalent O(4)Li3VNi2 octahedra, corners with two equivalent O(6)Li3VNi2 octahedra,  an edgeedge with one O(4)Li3VNi2 octahedra,  an edgeedge with one O(6)Li3VNi2 octahedra, edges with two equivalent O(1)Li3V2Ni octahedra, edges with two equivalent O(3)Li3V2Ni octahedra, edges with two equivalent O(5)Li3V2Ni octahedra, and edges with four equivalent O(2)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(1), one V(1), and two equivalent Ni(1) atoms to form OLi3VNi2 octahedra that share  a cornercorner with one O(4)Li3VNi2 octahedra,  a cornercorner with one O(6)Li3VNi2 octahedra, corners with two equivalent O(3)Li3V2Ni octahedra, corners with two equivalent O(5)Li3V2Ni octahedra,  an edgeedge with one O(3)Li3V2Ni octahedra,  an edgeedge with one O(5)Li3V2Ni octahedra, edges with two equivalent O(2)Li3VNi2 octahedra, edges with two equivalent O(4)Li3VNi2 octahedra, edges with two equivalent O(6)Li3VNi2 octahedra, and edges with four equivalent O(1)Li3V2Ni octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(2), one V(1), one V(2), and one Ni(1) atom to form OLi3V2Ni octahedra that share  a cornercorner with one O(1)Li3V2Ni octahedra,  a cornercorner with one O(3)Li3V2Ni octahedra, corners with two equivalent O(2)Li3VNi2 octahedra, corners with two equivalent O(4)Li3VNi2 octahedra,  an edgeedge with one O(3)Li3V2Ni octahedra,  an edgeedge with one O(2)Li3VNi2 octahedra, edges with two equivalent O(1)Li3V2Ni octahedra, edges with two equivalent O(4)Li3VNi2 octahedra, edges with three equivalent O(5)Li3V2Ni octahedra, and edges with three equivalent O(6)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one V(1), one Ni(1), and one Ni(2) atom to form OLi3VNi2 octahedra that share  a cornercorner with one O(2)Li3VNi2 octahedra,  a cornercorner with one O(4)Li3VNi2 octahedra, corners with two equivalent O(1)Li3V2Ni octahedra, corners with two equivalent O(3)Li3V2Ni octahedra,  an edgeedge with one O(1)Li3V2Ni octahedra,  an edgeedge with one O(4)Li3VNi2 octahedra, edges with two equivalent O(3)Li3V2Ni octahedra, edges with two equivalent O(2)Li3VNi2 octahedra, edges with three equivalent O(5)Li3V2Ni octahedra, and edges with three equivalent O(6)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one V(1), one V(2), and one Ni(2) atom to form OLi3V2Ni octahedra that share  a cornercorner with one O(1)Li3V2Ni octahedra,  a cornercorner with one O(6)Li3VNi2 octahedra, corners with two equivalent O(5)Li3V2Ni octahedra, corners with two equivalent O(2)Li3VNi2 octahedra,  an edgeedge with one O(2)Li3VNi2 octahedra, edges with two equivalent O(1)Li3V2Ni octahedra, edges with three equivalent O(3)Li3V2Ni octahedra, edges with three equivalent O(4)Li3VNi2 octahedra, and edges with three equivalent O(6)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one V(2), one Ni(1), and one Ni(2) atom to form OLi3VNi2 octahedra that share  a cornercorner with one O(5)Li3V2Ni octahedra,  a cornercorner with one O(2)Li3VNi2 octahedra, corners with two equivalent O(1)Li3V2Ni octahedra, corners with two equivalent O(6)Li3VNi2 octahedra,  an edgeedge with one O(1)Li3V2Ni octahedra, edges with two equivalent O(2)Li3VNi2 octahedra, edges with three equivalent O(3)Li3V2Ni octahedra, edges with three equivalent O(5)Li3V2Ni octahedra, and edges with three equivalent O(4)Li3VNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°.