Gd2HfO5 crystallizes in the monoclinic C2/c space group. Gd(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), and three equivalent O(1) atoms. Hf(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Gd(1) and one Hf(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Gd(1) and one Hf(1) atom. In the third O site, O(3) is bonded to two equivalent Gd(1) and two equivalent Hf(1) atoms to form distorted corner-sharing OGd2Hf2 trigonal pyramids.
Gd2HfO5 crystallizes in the monoclinic C2/c space group. Gd(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), and three equivalent O(1) atoms. The Gd(1)-O(3) bond length is 2.45 Å. There is one shorter (2.22 Å) and one longer (2.24 Å) Gd(1)-O(2) bond length. There are a spread of Gd(1)-O(1) bond distances ranging from 2.28-2.63 Å. Hf(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 52°. Both Hf(1)-O(1) bond lengths are 2.08 Å. Both Hf(1)-O(2) bond lengths are 2.09 Å. Both Hf(1)-O(3) bond lengths are 2.15 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Gd(1) and one Hf(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Gd(1) and one Hf(1) atom. In the third O site, O(3) is bonded to two equivalent Gd(1) and two equivalent Hf(1) atoms to form distorted corner-sharing OGd2Hf2 trigonal pyramids.