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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmS by Materials Project

SmS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing SmS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–S bond lengths are 2.84 Å. S2- is bonded to six equivalent Sm2+ atoms to form a mixture of edge and corner-sharing SSm6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2S3 by Materials Project

Sm2S3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.80–3.10 Å. In the second Sm3+ site, Sm3+ is bonded to seven S2- atoms to form distorted edge-sharing SmS7 pentagonal bipyramids. There are a spread of Sm–S bond distances ranging from 2.80–2.98 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Sm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SSm5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Sm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SSm5 square pyramids. In the third S2- site, S2- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SSm5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmS by Materials Project

SmS crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two SmS sheets oriented in the (0, 0, 1) direction. Sm2+ is bonded to five equivalent S2- atoms to form a mixture of distorted corner and edge-sharing SmS5 square pyramids. There are four shorter (2.81 Å) and one longer (2.84 Å) Sm–S bond lengths. S2- is bonded to five equivalent Sm2+ atoms to form a mixture of corner and edge-sharing SSm5 square pyramids.

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 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 Sm2S3 by Materials Project

Sm2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to eight 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 2.82–3.02 Å. In the second Sm3+ site, Sm3+ is bonded to eight 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 2.84–3.09 Å. In the third Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.79–3.19 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Sm3+ atoms. In the second S2- site, S2- is bonded to five Sm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SSm5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Sm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SSm5 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmS2 by Materials Project

SmS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Sm–S bond distances ranging from 2.82–3.12 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four equivalent Sm3+ and one S+1.50- atom. The S–S bond length is 2.16 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmS2 by Materials Project

SmS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Sm–S bond distances ranging from 2.88–2.97 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.78 Å. In the second S+1.50- site, S+1.50- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids.

36 MATERIALS SCIENCE↗