Sr2CeHfO6 is Orthorhombic Perovskite-derived structured and crystallizes in the cubic Pn-3 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share faces with four equivalent Ce(1)O6 octahedra and faces with four equivalent Hf(1)O6 octahedra. In the second Sr site, Sr(2) is bonded in a distorted square co-planar geometry to eight equivalent O(1) atoms. Ce(1) is bonded to six equivalent O(1) atoms to form CeO6 octahedra that share corners with six equivalent Hf(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. Hf(1) is bonded to six equivalent O(1) atoms to form HfO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ce(1), and one Hf(1) atom.
Sr2CeHfO6 is Orthorhombic Perovskite-derived structured and crystallizes in the cubic Pn-3 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share faces with four equivalent Ce(1)O6 octahedra and faces with four equivalent Hf(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 2.99 Å. In the second Sr site, Sr(2) is bonded in a distorted square co-planar geometry to eight equivalent O(1) atoms. There are four shorter (2.53 Å) and four longer (3.08 Å) Sr(2)-O(1) bond lengths. Ce(1) is bonded to six equivalent O(1) atoms to form CeO6 octahedra that share corners with six equivalent Hf(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. All Ce(1)-O(1) bond lengths are 2.25 Å. Hf(1) is bonded to six equivalent O(1) atoms to form HfO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. All Hf(1)-O(1) bond lengths are 2.10 Å. O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ce(1), and one Hf(1) atom.