SrHfO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Hf(1)O6 octahedra. Hf(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form HfO6 octahedra that share corners with six equivalent Hf(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Hf(1) atoms.
SrHfO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Hf(1)O6 octahedra. All Sr(1)-O(2) bond lengths are 2.93 Å. There are four shorter (2.82 Å) and four longer (3.05 Å) Sr(1)-O(1) bond lengths. Hf(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form HfO6 octahedra that share corners with six equivalent Hf(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. There is one shorter (2.04 Å) and one longer (2.10 Å) Hf(1)-O(2) bond length. All Hf(1)-O(1) bond lengths are 2.07 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Hf(1) atoms.