Sr2ZrCeO6 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 Zr(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 Zr(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 26°. Zr(1) is bonded to six equivalent O(1) atoms to form ZrO6 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 26°. O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ce(1), and one Zr(1) atom.
Sr2ZrCeO6 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 Zr(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 3.01 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 (3.10 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 Zr(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 26°. All Ce(1)-O(1) bond lengths are 2.25 Å. Zr(1) is bonded to six equivalent O(1) atoms to form ZrO6 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 26°. All Zr(1)-O(1) bond lengths are 2.13 Å. O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ce(1), and one Zr(1) atom.