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DOE OSTI · 1717795

Materials Data on Cr3Te4 by Materials Project

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Abstract

Cr3Te4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Cr+2.67+ sites. In the first Cr+2.67+ site, Cr+2.67+ is bonded to six Te2- atoms to form a mixture of corner, edge, and face-sharing CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are two shorter (2.78 Å) and four longer (2.81 Å) Cr–Te bond lengths. In the second Cr+2.67+ site, Cr+2.67+ is bonded to six Te2- atoms to form a mixture of corner, edge, and face-sharing CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Cr–Te bond distances ranging from 2.72–2.85 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to five Cr+2.67+ atoms. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Cr+2.67+ atoms.

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36 MATERIALS SCIENCECr-TeCr3Te4crystal structure

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2020-05-02. Materials Data on Cr3Te4 by Materials Project. https://doi.org/10.17188/1717795

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