YTiF5 crystallizes in the orthorhombic Immm space group. Y(1) is bonded to two F(1,1); two equivalent F(2); and two equivalent F(3) atoms to form YF6 octahedra that share corners with two equivalent Y(1)F6 octahedra and corners with six equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. Ti(1) is bonded to two equivalent F(2) and four F(1,1) atoms to form distorted TiF6 octahedra that share corners with six equivalent Y(1)F6 octahedra and edges with two equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Ti(1) atoms. In the second F site, F(1) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Ti(1) atoms. In the third F site, F(2) is bonded in a linear geometry to one Y(1) and one Ti(1) atom. In the fourth F site, F(3) is bonded in a linear geometry to two equivalent Y(1) atoms.
YTiF5 crystallizes in the orthorhombic Immm space group. Y(1) is bonded to two F(1,1); two equivalent F(2); and two equivalent F(3) atoms to form YF6 octahedra that share corners with two equivalent Y(1)F6 octahedra and corners with six equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. Both Y(1)-F(1,1) bond lengths are 2.22 Å. Both Y(1)-F(2) bond lengths are 2.20 Å. Both Y(1)-F(3) bond lengths are 2.10 Å. Ti(1) is bonded to two equivalent F(2) and four F(1,1) atoms to form distorted TiF6 octahedra that share corners with six equivalent Y(1)F6 octahedra and edges with two equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. Both Ti(1)-F(2) bond lengths are 2.02 Å. All Ti(1)-F(1,1) bond lengths are 2.44 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Ti(1) atoms. In the second F site, F(1) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Ti(1) atoms. In the third F site, F(2) is bonded in a linear geometry to one Y(1) and one Ti(1) atom. In the fourth F site, F(3) is bonded in a linear geometry to two equivalent Y(1) atoms.