LiSrVPO6 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(5), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. Sr(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. V(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Sr(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Sr(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sr(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1), one V(1), and one P(1) atom.
LiSrVPO6 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(5), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The Li(1)-O(1) bond length is 1.94 Å. The Li(1)-O(5) bond length is 2.01 Å. There is one shorter (1.99 Å) and one longer (2.03 Å) Li(1)-O(2) bond length. Sr(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. The Sr(1)-O(1) bond length is 2.48 Å. The Sr(1)-O(2) bond length is 2.64 Å. The Sr(1)-O(3) bond length is 2.59 Å. The Sr(1)-O(4) bond length is 2.39 Å. The Sr(1)-O(5) bond length is 2.82 Å. There is one shorter (2.70 Å) and one longer (2.74 Å) Sr(1)-O(6) bond length. V(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The V(1)-O(1) bond length is 1.74 Å. The V(1)-O(3) bond length is 2.05 Å. The V(1)-O(5) bond length is 2.19 Å. The V(1)-O(6) bond length is 2.38 Å. There is one shorter (1.89 Å) and one longer (1.91 Å) V(1)-O(4) bond length. P(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.58 Å. The P(1)-O(6) bond length is 1.57 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Sr(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Sr(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sr(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1), one V(1), and one P(1) atom.