SrHfO3 crystallizes in the tetragonal P4/mbm space group. Sr(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted SrO8 cuboctahedra that share corners with four equivalent Sr(1)O8 cuboctahedra, edges with six equivalent Sr(1)O8 cuboctahedra, and edges 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 edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two 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 crystallizes in the tetragonal P4/mbm space group. Sr(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted SrO8 cuboctahedra that share corners with four equivalent Sr(1)O8 cuboctahedra, edges with six equivalent Sr(1)O8 cuboctahedra, and edges with eight equivalent Hf(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 2.63 Å. All Sr(1)-O(2) bond lengths are 2.87 Å. 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 edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-22°. Both Hf(1)-O(2) bond lengths are 2.07 Å. 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 4-coordinate geometry to two 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.