Sr4CaCr5O15 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are two 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(2)O12 cuboctahedra, corners with nine equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra,  a faceface with one Cr(2)O6 octahedra, faces with three equivalent Cr(3)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Ca(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Cr(1)O6 octahedra, faces with three equivalent Cr(2)O6 octahedra, and faces with four equivalent Cr(3)O6 octahedra. Ca(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form CaO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Cr(3)O6 octahedra, and faces with six equivalent Cr(1)O6 octahedra. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Cr site, Cr(2) is bonded to six equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Cr(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Cr site, Cr(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Ca(1), and two equivalent Cr(1) atoms. In the second O site, O(1) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one Ca(1), one Cr(1), and one Cr(3) atom. In the third O site, O(2) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Cr(2), and one Cr(3) atom.
Sr4CaCr5O15 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are two 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(2)O12 cuboctahedra, corners with nine equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra,  a faceface with one Cr(2)O6 octahedra, faces with three equivalent Cr(3)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. All Sr(1)-O(2) bond lengths are 2.74 Å. All Sr(1)-O(3) bond lengths are 2.73 Å. All Sr(1)-O(1) bond lengths are 2.74 Å. In the second Sr site, Sr(2) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Ca(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Cr(1)O6 octahedra, faces with three equivalent Cr(2)O6 octahedra, and faces with four equivalent Cr(3)O6 octahedra. All Sr(2)-O(1) bond lengths are 2.75 Å. All Sr(2)-O(2) bond lengths are 2.74 Å. Ca(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form CaO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Cr(3)O6 octahedra, and faces with six equivalent Cr(1)O6 octahedra. All Ca(1)-O(1) bond lengths are 2.72 Å. All Ca(1)-O(3) bond lengths are 2.74 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with three equivalent Ca(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. All Cr(1)-O(1) bond lengths are 1.96 Å. All Cr(1)-O(3) bond lengths are 1.93 Å. In the second Cr site, Cr(2) is bonded to six equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Cr(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Cr(2)-O(2) bond lengths are 1.96 Å. In the third Cr site, Cr(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. All Cr(3)-O(1) bond lengths are 1.92 Å. All Cr(3)-O(2) bond lengths are 1.91 Å. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Ca(1), and two equivalent Cr(1) atoms. In the second O site, O(1) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one Ca(1), one Cr(1), and one Cr(3) atom. In the third O site, O(2) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Cr(2), and one Cr(3) atom.