HfCoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Hf(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form HfO6 octahedra that share corners with six equivalent Hf(1)O6 octahedra and corners with eight equivalent Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-47°. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted CoO4 tetrahedra that share corners with eight equivalent Hf(1)O6 octahedra and corners with two equivalent Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-82°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Hf(1) and two equivalent Co(1) atoms to form distorted corner-sharing OHf2Co2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Hf(1) and one Co(1) atom.
HfCoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Hf(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form HfO6 octahedra that share corners with six equivalent Hf(1)O6 octahedra and corners with eight equivalent Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-47°. Both Hf(1)-O(1) bond lengths are 2.12 Å. There are two shorter (2.08 Å) and two longer (2.09 Å) Hf(1)-O(2) bond lengths. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted CoO4 tetrahedra that share corners with eight equivalent Hf(1)O6 octahedra and corners with two equivalent Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-82°. There is one shorter (2.07 Å) and one longer (2.18 Å) Co(1)-O(1) bond length. Both Co(1)-O(2) bond lengths are 2.03 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Hf(1) and two equivalent Co(1) atoms to form distorted corner-sharing OHf2Co2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Hf(1) and one Co(1) atom.