PrHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Hf(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 28-32°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pr(1) and two equivalent Hf(1) atoms to form distorted corner-sharing OPr2Hf2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Pr(1) and two equivalent Hf(1) atoms.
PrHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. There is one shorter (2.43 Å) and one longer (2.45 Å) Pr(1)-O(1) bond length. There are a spread of Pr(1)-O(2) bond distances ranging from 2.52-2.87 Å. Hf(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 28-32°. Both Hf(1)-O(1) bond lengths are 2.10 Å. There are two shorter (2.13 Å) and two longer (2.16 Å) Hf(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pr(1) and two equivalent Hf(1) atoms to form distorted corner-sharing OPr2Hf2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Pr(1) and two equivalent Hf(1) atoms.