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DOE OSTI · 1652581

Materials Data on Cr5Te8 by Materials Project

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Abstract

Cr5Te8 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Cr+3.20+ sites. In the first Cr+3.20+ site, Cr+3.20+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.72 Å) and four longer (2.73 Å) Cr–Te bond lengths. In the second Cr+3.20+ site, Cr+3.20+ is bonded to six equivalent Te2- atoms to form a mixture of face and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Cr–Te bond lengths are 2.75 Å. In the third Cr+3.20+ site, Cr+3.20+ is bonded to six equivalent Te2- atoms to form a mixture of edge and face-sharing CrTe6 octahedra. All Cr–Te bond lengths are 2.75 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Cr+3.20+ atoms. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Cr+3.20+ atoms.

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36 MATERIALS SCIENCECr-TeCr5Te8crystal structure

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2020-07-18. Materials Data on Cr5Te8 by Materials Project. https://doi.org/10.17188/1652581

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