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DOE OSTI · 1723175

Materials Data on Co5Te6 by Materials Project

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Abstract

Co5Te6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Co+2.40+ sites. In the first Co+2.40+ site, Co+2.40+ is bonded to six equivalent Te2- atoms to form a mixture of edge, face, and corner-sharing CoTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are three shorter (2.58 Å) and three longer (2.62 Å) Co–Te bond lengths. In the second Co+2.40+ site, Co+2.40+ is bonded to six equivalent Te2- atoms to form a mixture of edge, face, and corner-sharing CoTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Co–Te bond lengths are 2.60 Å. In the third Co+2.40+ site, Co+2.40+ is bonded to six equivalent Te2- atoms to form a mixture of edge, face, and corner-sharing CoTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are three shorter (2.61 Å) and three longer (2.65 Å) Co–Te bond lengths. Te2- is bonded in a 5-coordinate geometry to five Co+2.40+ atoms.

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36 MATERIALS SCIENCECo-TeCo5Te6crystal structure

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2020-05-04. Materials Data on Co5Te6 by Materials Project. https://doi.org/10.17188/1723175

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