Sr2HfO4 is (La,Ba)CuO4-like structured and crystallizes in the tetragonal P4_2/ncm space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), and five equivalent O(1) atoms. Hf(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to five equivalent Sr(1) and one Hf(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Hf(1) atoms. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Hf(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Hf2 octahedra. The corner-sharing octahedra are not tilted.
Sr2HfO4 is (La,Ba)CuO4-like structured and crystallizes in the tetragonal P4_2/ncm space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), and five equivalent O(1) atoms. There is one shorter (2.65 Å) and one longer (2.93 Å) Sr(1)-O(2) bond length. Both Sr(1)-O(3) bond lengths are 2.78 Å. There are a spread of Sr(1)-O(1) bond distances ranging from 2.42-3.22 Å. Hf(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. Both Hf(1)-O(1) bond lengths are 2.08 Å. Both Hf(1)-O(2) bond lengths are 2.07 Å. Both Hf(1)-O(3) bond lengths are 2.05 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to five equivalent Sr(1) and one Hf(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Hf(1) atoms. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Hf(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Hf2 octahedra. The corner-sharing octahedra are not tilted.