Sr5ZrTi4O15 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(3)O12 cuboctahedra, corners with nine equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Zr(1)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Sr(3)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with six equivalent Ti(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to three equivalent O(1) and nine equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Ti(2)O6 octahedra, faces with three equivalent Zr(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. Zr(1) is bonded to six equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form TiO6 octahedra that share corners with three equivalent Zr(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(2) atoms. In the second O site, O(3) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(3), one Zr(1), and one Ti(1) atom. In the third O site, O(1) is bonded in a distorted linear geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Ti(1), and one Ti(2) atom.
Sr5ZrTi4O15 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(3)O12 cuboctahedra, corners with nine equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Zr(1)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. All Sr(1)-O(2) bond lengths are 2.76 Å. All Sr(1)-O(3) bond lengths are 2.86 Å. All Sr(1)-O(1) bond lengths are 2.82 Å. In the second Sr site, Sr(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Sr(3)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with six equivalent Ti(2)O6 octahedra. All Sr(2)-O(1) bond lengths are 2.79 Å. All Sr(2)-O(2) bond lengths are 2.82 Å. In the third Sr site, Sr(3) is bonded to three equivalent O(1) and nine equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Ti(2)O6 octahedra, faces with three equivalent Zr(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. All Sr(3)-O(1) bond lengths are 2.80 Å. There are six shorter (2.82 Å) and three longer (2.93 Å) Sr(3)-O(3) bond lengths. Zr(1) is bonded to six equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Zr(1)-O(3) bond lengths are 2.09 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form TiO6 octahedra that share corners with three equivalent Zr(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ti(1)-O(1) bond lengths are 1.99 Å. All Ti(1)-O(3) bond lengths are 1.95 Å. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ti(2)-O(1) bond lengths are 1.97 Å. All Ti(2)-O(2) bond lengths are 1.99 Å. There are three inequivalent O sites. In the first O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(2) atoms. In the second O site, O(3) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(3), one Zr(1), and one Ti(1) atom. In the third O site, O(1) is bonded in a distorted linear geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Ti(1), and one Ti(2) atom.