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DOE OSTI2020

Materials Data on Sm3S4 by Materials Project

Sm3S4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sm+2.67+ is bonded to eight equivalent S2- atoms to form a mixture of distorted edge, face, and corner-sharing SmS8 hexagonal bipyramids. There are four shorter (2.85 Å) and four longer (3.03 Å) Sm–S bond lengths. S2- is bonded to six equivalent Sm+2.67+ atoms to form a mixture of distorted edge, face, and corner-sharing SSm6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Sm3S4 by Materials Project

Sm3S4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sm+2.67+ is bonded to four equivalent S2- atoms to form corner-sharing SmS4 tetrahedra. All Sm–S bond lengths are 2.67 Å. S2- is bonded in a trigonal planar geometry to three equivalent Sm+2.67+ atoms.

36 MATERIALS SCIENCE↗