BaEuCeHfO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnnn space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share faces with four equivalent Ce(1)O6 octahedra and faces with four equivalent Hf(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Eu site, Eu(2) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CeO6 octahedra that share corners with six equivalent Hf(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 22-29°. Hf(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form HfO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 22-29°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Eu(1), one Ce(1), and one Hf(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Eu(1), one Ce(1), and one Hf(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Eu(2), one Ce(1), and one Hf(1) atom.
BaEuCeHfO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnnn space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share faces with four equivalent Ce(1)O6 octahedra and faces with four equivalent Hf(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.03 Å. All Ba(1)-O(2) bond lengths are 3.03 Å. All Ba(1)-O(3) bond lengths are 3.07 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. All Ba(2)-O(1) bond lengths are 2.64 Å. All Ba(2)-O(3) bond lengths are 3.12 Å. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) and four equivalent O(2) atoms. All Eu(1)-O(1) bond lengths are 3.11 Å. All Eu(1)-O(2) bond lengths are 2.49 Å. In the second Eu site, Eu(2) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. All Eu(2)-O(3) bond lengths are 2.49 Å. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CeO6 octahedra that share corners with six equivalent Hf(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 22-29°. Both Ce(1)-O(1) bond lengths are 2.30 Å. Both Ce(1)-O(2) bond lengths are 2.34 Å. Both Ce(1)-O(3) bond lengths are 2.33 Å. Hf(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form HfO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 22-29°. Both Hf(1)-O(1) bond lengths are 2.08 Å. Both Hf(1)-O(2) bond lengths are 2.11 Å. Both Hf(1)-O(3) bond lengths are 2.11 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Eu(1), one Ce(1), and one Hf(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Eu(1), one Ce(1), and one Hf(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Eu(2), one Ce(1), and one Hf(1) atom.