NiOCeO2 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Ni(1) atoms to form distorted corner-sharing OCe2Ni2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ce(1) and two equivalent Ni(1) atoms.
NiOCeO2 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. There is one shorter (2.23 Å) and one longer (2.30 Å) Ce(1)-O(1) bond length. There are a spread of Ce(1)-O(2) bond distances ranging from 2.24-2.72 Å. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. Both Ni(1)-O(1) bond lengths are 2.05 Å. There are two shorter (2.06 Å) and two longer (2.09 Å) Ni(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Ni(1) atoms to form distorted corner-sharing OCe2Ni2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ce(1) and two equivalent Ni(1) atoms.