Sr2CrZrO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Zr(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Zr(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Zr(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1), one Zr(1), and one Cr(1) atom.
Sr2CrZrO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Zr(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 2.86 Å. All Sr(1)-O(2) bond lengths are 2.85 Å. All Sr(1)-O(3) bond lengths are 2.85 Å. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Zr(1)-O(1) bond lengths are 2.10 Å. Both Zr(1)-O(2) bond lengths are 2.07 Å. Both Zr(1)-O(3) bond lengths are 2.11 Å. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Cr(1)-O(1) bond lengths are 1.91 Å. Both Cr(1)-O(2) bond lengths are 1.97 Å. Both Cr(1)-O(3) bond lengths are 1.93 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Zr(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Zr(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1), one Zr(1), and one Cr(1) atom.