CeSbSe is Matlockite structured and crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 9-coordinate geometry to four equivalent Sb(1) and five equivalent Se(1) atoms. Sb(1) is bonded to four equivalent Ce(1) and four equivalent Sb(1) atoms to form distorted SbCe4Sb4 hexagonal bipyramids that share corners with four equivalent Sb(1)Ce4Sb4 hexagonal bipyramids, corners with twelve equivalent Se(1)Ce5 square pyramids, edges with four equivalent Sb(1)Ce4Sb4 hexagonal bipyramids, edges with four equivalent Se(1)Ce5 square pyramids, and faces with four equivalent Sb(1)Ce4Sb4 hexagonal bipyramids. Se(1) is bonded to five equivalent Ce(1) atoms to form distorted SeCe5 square pyramids that share corners with twelve equivalent Sb(1)Ce4Sb4 hexagonal bipyramids, corners with four equivalent Se(1)Ce5 square pyramids, edges with four equivalent Sb(1)Ce4Sb4 hexagonal bipyramids, and edges with eight equivalent Se(1)Ce5 square pyramids.
CeSbSe is Matlockite structured and crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 9-coordinate geometry to four equivalent Sb(1) and five equivalent Se(1) atoms. There are three shorter (3.43 Å) and one longer (3.44 Å) Ce(1)-Sb(1) bond length. There are a spread of Ce(1)-Se(1) bond distances ranging from 3.04-3.08 Å. Sb(1) is bonded to four equivalent Ce(1) and four equivalent Sb(1) atoms to form distorted SbCe4Sb4 hexagonal bipyramids that share corners with four equivalent Sb(1)Ce4Sb4 hexagonal bipyramids, corners with twelve equivalent Se(1)Ce5 square pyramids, edges with four equivalent Sb(1)Ce4Sb4 hexagonal bipyramids, edges with four equivalent Se(1)Ce5 square pyramids, and faces with four equivalent Sb(1)Ce4Sb4 hexagonal bipyramids. There are two shorter (2.94 Å) and two longer (3.06 Å) Sb(1)-Sb(1) bond lengths. Se(1) is bonded to five equivalent Ce(1) atoms to form distorted SeCe5 square pyramids that share corners with twelve equivalent Sb(1)Ce4Sb4 hexagonal bipyramids, corners with four equivalent Se(1)Ce5 square pyramids, edges with four equivalent Sb(1)Ce4Sb4 hexagonal bipyramids, and edges with eight equivalent Se(1)Ce5 square pyramids.