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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbEu4S5 by Materials Project

TbEu4S5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded to six S atoms to form TbS6 octahedra that share corners with two equivalent EuS6 octahedra, corners with four equivalent TbS6 octahedra, edges with four equivalent TbS6 octahedra, and edges with eight equivalent EuS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.79 Å) and four longer (2.89 Å) Tb–S bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to six S atoms to form EuS6 octahedra that share corners with six EuS6 octahedra, edges with four equivalent TbS6 octahedra, and edges with eight EuS6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Eu–S bond distances ranging from 2.87–2.90 Å. In the second Eu site, Eu is bonded to six S atoms to form EuS6 octahedra that share a cornercorner with one TbS6 octahedra, corners with five EuS6 octahedra, and edges with twelve EuS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Eu–S bond distances ranging from 2.89–2.98 Å. There are five inequivalent S sites. In the first S site, S is bonded to one Tb and five Eu atoms to form a mixture of edge and corner-sharing STbEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second S site, S is bonded to four equivalent Tb and two equivalent Eu atoms to form STb4Eu2 octahedra that share corners with six STb4Eu2 octahedra and edges with twelve STbEu5 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third S site, S is bonded to six Eu atoms to form a mixture of edge and corner-sharing SEu6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth S site, S is bonded to one Tb and five Eu atoms to form a mixture of edge and corner-sharing STbEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are four shorter (2.89 Å) and one longer (2.98 Å) S–Eu bond lengths. In the fifth S site, S is bonded to six Eu atoms to form SEu6 octahedra that share corners with six STb4Eu2 octahedra and edges with twelve STbEu5 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of S–Eu bond distances ranging from 2.89–2.91 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2EuS4 by Materials Project

Tb2EuS4 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 EuS8 hexagonal bipyramids, edges with four equivalent TbS8 hexagonal bipyramids, faces with four equivalent TbS8 hexagonal bipyramids, and faces with four equivalent EuS8 hexagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.77–3.05 Å. Eu2+ is bonded to eight equivalent S2- atoms to form distorted EuS8 hexagonal bipyramids that share corners with eight equivalent TbS8 hexagonal bipyramids, edges with four equivalent EuS8 hexagonal bipyramids, and faces with eight equivalent TbS8 hexagonal bipyramids. There are four shorter (2.88 Å) and four longer (3.06 Å) Eu–S bond lengths. S2- is bonded in a 6-coordinate geometry to four equivalent Tb3+ and two equivalent Eu2+ atoms.

36 MATERIALS SCIENCE↗