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DOE OSTI · 1701364

Materials Data on CoNiTe4 by Materials Project

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Abstract

CoNiTe4 is Calaverite-derived structured and crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one CoNiTe4 sheet oriented in the (1, 0, 0) direction. Co4+ is bonded to six Te2- atoms to form CoTe6 octahedra that share edges with two equivalent CoTe6 octahedra and edges with four equivalent NiTe6 octahedra. There are two shorter (2.53 Å) and four longer (2.56 Å) Co–Te bond lengths. Ni4+ is bonded to six Te2- atoms to form NiTe6 octahedra that share edges with two equivalent NiTe6 octahedra and edges with four equivalent CoTe6 octahedra. There are four shorter (2.57 Å) and two longer (2.62 Å) Ni–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to one Co4+ and two equivalent Ni4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Co4+ and one Ni4+ atom.

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36 MATERIALS SCIENCECo-Ni-TeCoNiTe4crystal structure

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2020-05-02. Materials Data on CoNiTe4 by Materials Project. https://doi.org/10.17188/1701364

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