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DOE OSTI · 1743871

Materials Data on ScTe by Materials Project

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Abstract

ScTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc2+ is bonded to six Te2- atoms to form a mixture of edge, corner, and face-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–47°. There are three shorter (2.88 Å) and three longer (3.00 Å) Sc–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Sc2+ atoms to form a mixture of distorted edge and corner-sharing TeSc6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 3°. In the second Te2- site, Te2- is bonded to six equivalent Sc2+ atoms to form a mixture of edge and corner-sharing TeSc6 octahedra.

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36 MATERIALS SCIENCEcrystal structureSc-TeScTe

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2020-04-26. Materials Data on ScTe by Materials Project. https://doi.org/10.17188/1743871

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