Li2VSiO4 is Aluminum carbonitride-derived structured and 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(2), one O(5), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with three equivalent Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(12), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(10), one O(3), one O(4), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with three equivalent Si(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(3), and one O(8) atom. In the fifth Li site, Li(5) is bonded to one O(12), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), one O(4), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and corners with two equivalent Li(3)O4 trigonal pyramids. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(4), one O(8), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(6), and two equivalent O(9) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(5), one O(6), one O(7), and two equivalent O(12) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(12), one O(2), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, and corners with three equivalent Li(1)O4 trigonal pyramids. In the second Si site, Si(2) is bonded to one O(10), one O(3), one O(4), and one O(9) atom to form SiO4 tetrahedra that share corners with three equivalent Li(6)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with three equivalent Li(3)O4 trigonal pyramids. In the third Si site, Si(3) is bonded to one O(1), one O(11), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra and  a cornercorner with one Li(3)O4 trigonal pyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one V(3), and one Si(3) atom to form distorted corner-sharing OLi2VSi tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(6), one V(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), two equivalent V(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one V(1), one V(2), and one Si(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one V(3), and one Si(1) atom to form distorted corner-sharing OLi2VSi tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one V(2), one V(3), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one V(3), and one Si(3) atom. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one V(1), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OLi2VSi trigonal pyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(6), two equivalent V(2), and one Si(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one V(1), one V(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one V(1), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OLi2VSi tetrahedra. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), two equivalent V(3), and one Si(1) atom.
Li2VSiO4 is Aluminum carbonitride-derived structured and 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(2), one O(5), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with three equivalent Si(1)O4 tetrahedra. The Li(1)-O(2) bond length is 1.96 Å. The Li(1)-O(5) bond length is 1.85 Å. The Li(1)-O(6) bond length is 2.07 Å. The Li(1)-O(9) bond length is 1.90 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(12), and one O(7) atom. The Li(2)-O(1) bond length is 2.03 Å. The Li(2)-O(11) bond length is 1.92 Å. The Li(2)-O(12) bond length is 2.05 Å. The Li(2)-O(7) bond length is 1.99 Å. In the third Li site, Li(3) is bonded to one O(10), one O(3), one O(4), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with three equivalent Si(2)O4 tetrahedra. The Li(3)-O(10) bond length is 2.09 Å. The Li(3)-O(3) bond length is 1.96 Å. The Li(3)-O(4) bond length is 2.04 Å. The Li(3)-O(8) bond length is 1.86 Å. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(3), and one O(8) atom. The Li(4)-O(1) bond length is 1.86 Å. The Li(4)-O(11) bond length is 2.04 Å. The Li(4)-O(3) bond length is 2.04 Å. The Li(4)-O(8) bond length is 1.93 Å. In the fifth Li site, Li(5) is bonded to one O(12), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The Li(5)-O(12) bond length is 1.97 Å. The Li(5)-O(5) bond length is 2.00 Å. The Li(5)-O(6) bond length is 2.08 Å. The Li(5)-O(7) bond length is 1.94 Å. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), one O(4), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and corners with two equivalent Li(3)O4 trigonal pyramids. The Li(6)-O(10) bond length is 2.03 Å. The Li(6)-O(2) bond length is 1.84 Å. The Li(6)-O(4) bond length is 2.07 Å. The Li(6)-O(9) bond length is 1.89 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(4), one O(8), and two equivalent O(3) atoms. The V(1)-O(10) bond length is 2.32 Å. The V(1)-O(11) bond length is 2.09 Å. The V(1)-O(4) bond length is 2.32 Å. The V(1)-O(8) bond length is 2.08 Å. There is one shorter (2.29 Å) and one longer (2.64 Å) V(1)-O(3) bond length. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(6), and two equivalent O(9) atoms. The V(2)-O(10) bond length is 2.24 Å. The V(2)-O(2) bond length is 2.09 Å. The V(2)-O(4) bond length is 2.26 Å. The V(2)-O(6) bond length is 2.30 Å. There is one shorter (2.37 Å) and one longer (2.70 Å) V(2)-O(9) bond length. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(5), one O(6), one O(7), and two equivalent O(12) atoms. The V(3)-O(1) bond length is 2.13 Å. The V(3)-O(5) bond length is 2.14 Å. The V(3)-O(6) bond length is 2.38 Å. The V(3)-O(7) bond length is 2.11 Å. There is one shorter (2.39 Å) and one longer (2.53 Å) V(3)-O(12) bond length. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(12), one O(2), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, and corners with three equivalent Li(1)O4 trigonal pyramids. The Si(1)-O(12) bond length is 1.65 Å. The Si(1)-O(2) bond length is 1.65 Å. The Si(1)-O(5) bond length is 1.64 Å. The Si(1)-O(6) bond length is 1.67 Å. In the second Si site, Si(2) is bonded to one O(10), one O(3), one O(4), and one O(9) atom to form SiO4 tetrahedra that share corners with three equivalent Li(6)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with three equivalent Li(3)O4 trigonal pyramids. The Si(2)-O(10) bond length is 1.66 Å. The Si(2)-O(3) bond length is 1.65 Å. The Si(2)-O(4) bond length is 1.66 Å. The Si(2)-O(9) bond length is 1.65 Å. In the third Si site, Si(3) is bonded to one O(1), one O(11), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra and  a cornercorner with one Li(3)O4 trigonal pyramid. The Si(3)-O(1) bond length is 1.64 Å. The Si(3)-O(11) bond length is 1.65 Å. The Si(3)-O(7) bond length is 1.64 Å. The Si(3)-O(8) bond length is 1.65 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one V(3), and one Si(3) atom to form distorted corner-sharing OLi2VSi tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(6), one V(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), two equivalent V(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one V(1), one V(2), and one Si(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one V(3), and one Si(1) atom to form distorted corner-sharing OLi2VSi tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one V(2), one V(3), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one V(3), and one Si(3) atom. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one V(1), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OLi2VSi trigonal pyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(6), two equivalent V(2), and one Si(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one V(1), one V(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one V(1), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OLi2VSi tetrahedra. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), two equivalent V(3), and one Si(1) atom.