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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm2TmS4 by Materials Project

TmSm2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.73 Å) and four longer (3.05 Å) Tm–S bond lengths. Sm+2.50+ is bonded to eight equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing SmS8 hexagonal bipyramids. There are a spread of Sm–S bond distances ranging from 2.82–3.05 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Tm3+ and four equivalent Sm+2.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmTmS2 by Materials Project

TmSmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm is bonded to six equivalent S atoms to form TmS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent TmS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Tm–S bond lengths are 2.71 Å. Sm is bonded to six equivalent S atoms to form SmS6 octahedra that share corners with six equivalent TmS6 octahedra, edges with six equivalent TmS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Sm–S bond lengths are 2.85 Å. S is bonded to three equivalent Tm and three equivalent Sm atoms to form a mixture of edge and corner-sharing SSm3Tm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗