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DOE OSTI · 1201718

Materials Data on Cr2Te3 by Materials Project

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Abstract

Cr2Te3 is Corundum-like structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. there are three inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six equivalent Te2- atoms to form a mixture of face and corner-sharing CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. All Cr–Te bond lengths are 2.77 Å. In the second Cr3+ site, Cr3+ is bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Cr–Te bond lengths are 2.74 Å. In the third Cr3+ site, Cr3+ is bonded to six equivalent Te2- atoms to form a mixture of edge, face, and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three shorter (2.73 Å) and three longer (2.78 Å) Cr–Te bond lengths. Te2- is bonded in a rectangular see-saw-like geometry to four Cr3+ atoms.

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36 MATERIALS SCIENCECr-TeCr2Te3crystal structure

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2020-08-03. Materials Data on Cr2Te3 by Materials Project. https://doi.org/10.17188/1201718

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