BaSrCeTiO6 crystallizes in the orthorhombic P222 space group. There are four 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 two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Ba(4)O12 cuboctahedra, faces with four equivalent Ce(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(4), four equivalent O(5), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(3)O12 cuboctahedra, corners with four equivalent Ba(4)O12 cuboctahedra, faces with four equivalent Ce(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Ba(4)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ce(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ce(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(3), and four equivalent O(5) atoms. Ce(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CeO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, and  a faceface with one Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-18°. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, and  a faceface with one Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-18°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 2-coordinate geometry to one Ba(2), one Sr(1), one Sr(4), one Ce(1), and one Ti(1) atom. In the second O site, O(6) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(4), one Sr(2), one Ce(1), and one Ti(1) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), one Sr(1), one Sr(4), one Ce(1), and one Ti(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Sr(2), one Ce(1), and one Ti(1) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), one Sr(3), one Sr(4), one Ce(1), and one Ti(1) atom. In the sixth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Sr(3), one Ce(1), and one Ti(1) atom.
BaSrCeTiO6 crystallizes in the orthorhombic P222 space group. There are four 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 two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Ba(4)O12 cuboctahedra, faces with four equivalent Ce(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.02 Å. All Ba(1)-O(2) bond lengths are 2.98 Å. All Ba(1)-O(3) bond lengths are 3.01 Å. In the second Ba site, Ba(2) is bonded to four equivalent O(4), four equivalent O(5), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(3)O12 cuboctahedra, corners with four equivalent Ba(4)O12 cuboctahedra, faces with four equivalent Ce(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. All Ba(2)-O(4) bond lengths are 2.98 Å. All Ba(2)-O(5) bond lengths are 2.98 Å. All Ba(2)-O(6) bond lengths are 2.95 Å. In the third Ba site, Ba(3) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Ba(4)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ce(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. All Ba(3)-O(2) bond lengths are 2.78 Å. All Ba(3)-O(3) bond lengths are 3.26 Å. All Ba(3)-O(4) bond lengths are 3.01 Å. In the fourth Ba site, Ba(4) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ce(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. All Ba(4)-O(1) bond lengths are 2.78 Å. All Ba(4)-O(2) bond lengths are 3.17 Å. All Ba(4)-O(6) bond lengths are 3.02 Å. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(5) atoms. All Sr(1)-O(1) bond lengths are 2.95 Å. All Sr(1)-O(5) bond lengths are 2.65 Å. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(6) atoms. All Sr(2)-O(2) bond lengths are 2.98 Å. All Sr(2)-O(6) bond lengths are 2.67 Å. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. All Sr(3)-O(3) bond lengths are 2.96 Å. All Sr(3)-O(4) bond lengths are 2.65 Å. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(3), and four equivalent O(5) atoms. All Sr(4)-O(1) bond lengths are 3.18 Å. All Sr(4)-O(3) bond lengths are 2.68 Å. All Sr(4)-O(5) bond lengths are 3.01 Å. Ce(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CeO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, and  a faceface with one Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-18°. The Ce(1)-O(1) bond length is 2.24 Å. The Ce(1)-O(2) bond length is 2.27 Å. The Ce(1)-O(3) bond length is 2.25 Å. The Ce(1)-O(4) bond length is 2.24 Å. The Ce(1)-O(5) bond length is 2.21 Å. The Ce(1)-O(6) bond length is 2.25 Å. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, and  a faceface with one Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-18°. The Ti(1)-O(1) bond length is 1.98 Å. The Ti(1)-O(2) bond length is 2.01 Å. The Ti(1)-O(3) bond length is 2.01 Å. The Ti(1)-O(4) bond length is 1.99 Å. The Ti(1)-O(5) bond length is 1.97 Å. The Ti(1)-O(6) bond length is 2.00 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 2-coordinate geometry to one Ba(2), one Sr(1), one Sr(4), one Ce(1), and one Ti(1) atom. In the second O site, O(6) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(4), one Sr(2), one Ce(1), and one Ti(1) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), one Sr(1), one Sr(4), one Ce(1), and one Ti(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Sr(2), one Ce(1), and one Ti(1) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), one Sr(3), one Sr(4), one Ce(1), and one Ti(1) atom. In the sixth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Sr(3), one Ce(1), and one Ti(1) atom.