SrHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Hf(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 21-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1) and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Hf(1) atoms.
SrHfO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. There is one shorter (2.54 Å) and one longer (2.70 Å) Sr(1)-O(2) bond length. There are a spread of Sr(1)-O(1) bond distances ranging from 2.56-2.88 Å. Hf(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 21-22°. Both Hf(1)-O(2) bond lengths are 2.07 Å. There are two shorter (2.07 Å) and two longer (2.08 Å) Hf(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1) and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Hf(1) atoms.