Materials Data on Tb2SmS4 by Materials Project
Tb2SmS4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Tb3+ is bonded to eight equivalent S2- atoms to form distorted TbS8 hexagonal bipyramids that share corners with four equivalent TbS8 hexagonal bipyramids, corners with four equivalent SmS8 hexagonal bipyramids, edges with four equivalent TbS8 hexagonal bipyramids, faces with four equivalent TbS8 hexagonal bipyramids, and faces with four equivalent SmS8 hexagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.79–3.00 Å. Sm2+ is bonded to eight equivalent S2- atoms to form distorted SmS8 hexagonal bipyramids that share corners with eight equivalent TbS8 hexagonal bipyramids, edges with four equivalent SmS8 hexagonal bipyramids, and faces with eight equivalent TbS8 hexagonal bipyramids. There are four shorter (2.83 Å) and four longer (3.00 Å) Sm–S bond lengths. S2- is bonded to four equivalent Tb3+ and two equivalent Sm2+ atoms to form a mixture of distorted edge, face, and corner-sharing STb4Sm2 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.