Yb2TiO5 crystallizes in the orthorhombic Cmcm space group. Yb(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted YbO6 pentagonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Yb(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Yb(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 15°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Yb(1)O6 pentagonal pyramids, and edges with six equivalent Yb(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 24°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to two equivalent Yb(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Yb(1) and one Ti(1) atom to form a mixture of edge and corner-sharing OYb3Ti tetrahedra. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Yb(1) and two equivalent Ti(1) atoms.
Yb2TiO5 crystallizes in the orthorhombic Cmcm space group. Yb(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted YbO6 pentagonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Yb(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Yb(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 15°. The Yb(1)-O(3) bond length is 2.36 Å. There is one shorter (2.31 Å) and one longer (2.36 Å) Yb(1)-O(1) bond length. There are two shorter (2.22 Å) and one longer (2.33 Å) Yb(1)-O(2) bond length. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Yb(1)O6 pentagonal pyramids, and edges with six equivalent Yb(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 24°. Both Ti(1)-O(1) bond lengths are 1.97 Å. Both Ti(1)-O(2) bond lengths are 1.91 Å. Both Ti(1)-O(3) bond lengths are 2.08 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to two equivalent Yb(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Yb(1) and one Ti(1) atom to form a mixture of edge and corner-sharing OYb3Ti tetrahedra. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Yb(1) and two equivalent Ti(1) atoms.