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DOE OSTI · 1284084

Materials Data on CrTe2 by Materials Project

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Abstract

CrTe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two CrTe2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded to six Te2- atoms to form edge-sharing CrTe6 octahedra. All Cr–Te bond lengths are 2.71 Å. In the second Cr4+ site, Cr4+ is bonded to six Te2- atoms to form edge-sharing CrTe6 octahedra. All Cr–Te bond lengths are 2.71 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Cr4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Cr4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Cr4+ atoms. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Cr4+ atoms.

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36 MATERIALS SCIENCECr-TeCrTe2crystal structure

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2020-05-02. Materials Data on CrTe2 by Materials Project. https://doi.org/10.17188/1284084

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