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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmTe by Materials Project

SmTe 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 Te2- atoms to form a mixture of edge and corner-sharing SmTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Te bond lengths are 3.14 Å. Te2- is bonded to six equivalent Sm2+ atoms to form a mixture of edge and corner-sharing TeSm6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Te4 by Materials Project

Sm3Te4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sm+2.67+ is bonded to eight equivalent Te2- atoms to form a mixture of distorted corner, edge, and face-sharing SmTe8 hexagonal bipyramids. There are four shorter (3.17 Å) and four longer (3.38 Å) Sm–Te bond lengths. Te2- is bonded to six equivalent Sm+2.67+ atoms to form a mixture of distorted corner, edge, and face-sharing TeSm6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmTe3 by Materials Project

SmTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two SmTe3 sheets oriented in the (0, 1, 0) direction. Sm3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Sm–Te bond distances ranging from 3.24–3.36 Å. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 5-coordinate geometry to five equivalent Sm3+ atoms. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Sm3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.09 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmTe2 by Materials Project

SmTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of Sm–Te bond distances ranging from 3.24–3.32 Å. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.17 Å. In the second Te+1.50- site, Te+1.50- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing TeSm5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Te5 by Materials Project

Sm2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Sm2Te5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 9-coordinate geometry to nine Te+0.80- atoms. There are a spread of Sm–Te bond distances ranging from 3.27–3.33 Å. In the second Sm2+ site, Sm2+ is bonded in a 9-coordinate geometry to nine Te+0.80- atoms. There are a spread of Sm–Te bond distances ranging from 3.23–3.35 Å. There are five inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to two equivalent Sm2+ and four equivalent Te+0.80- atoms. All Te–Te bond lengths are 3.12 Å. In the second Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to two equivalent Sm2+ and four equivalent Te+0.80- atoms. In the third Te+0.80- site, Te+0.80- is bonded in a 8-coordinate geometry to four equivalent Sm2+ and four equivalent Te+0.80- atoms. All Te–Te bond lengths are 3.12 Å. In the fourth Te+0.80- site, Te+0.80- is bonded in a 5-coordinate geometry to five Sm2+ atoms. In the fifth Te+0.80- site, Te+0.80- is bonded in a 5-coordinate geometry to five Sm2+ atoms.

36 MATERIALS SCIENCE↗