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DOE OSTI · 1206338

Materials Data on Sc2Te3 by Materials Project

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Abstract

Sc2Te3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Sc–Te bond distances ranging from 2.91–2.95 Å. In the second Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Sc–Te bond distances ranging from 2.92–2.94 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms. In the second Te2- site, Te2- is bonded in a square co-planar geometry to four Sc3+ atoms.

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36 MATERIALS SCIENCEcrystal structureSc-TeSc2Te3

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2020-07-18. Materials Data on Sc2Te3 by Materials Project. https://doi.org/10.17188/1206338

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