LiVF3 is Ilmenite-like structured and crystallizes in the orthorhombic Pnna space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(1) atoms. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted corner-sharing FLi2V2 trigonal pyramids.
LiVF3 is Ilmenite-like structured and crystallizes in the orthorhombic Pnna space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(1) atoms. Both Li(1)-F(2) bond lengths are 2.12 Å. There are two shorter (1.91 Å) and two longer (2.45 Å) Li(1)-F(1) bond lengths. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 59°. Both V(1)-F(2) bond lengths are 2.15 Å. There are two shorter (2.11 Å) and two longer (2.13 Å) V(1)-F(1) bond lengths. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted corner-sharing FLi2V2 trigonal pyramids.