LiFeF3 is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. Fe(1) is bonded to six equivalent F(1) atoms to form distorted corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 49°. F(1) is bonded to two equivalent Li(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing FLi2Fe2 trigonal pyramids.
LiFeF3 is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. There are three shorter (1.99 Å) and three longer (2.29 Å) Li(1)-F(1) bond lengths. Fe(1) is bonded to six equivalent F(1) atoms to form distorted corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are three shorter (2.08 Å) and three longer (2.11 Å) Fe(1)-F(1) bond lengths. F(1) is bonded to two equivalent Li(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing FLi2Fe2 trigonal pyramids.