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DOE OSTI · 1204279

Materials Data on K2Cu2Te5 by Materials Project

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Abstract

K2Cu2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten Te+0.80- atoms. There are a spread of K–Te bond distances ranging from 3.64–3.86 Å. Cu1+ is bonded to four Te+0.80- atoms to form a mixture of distorted edge and corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.63–2.67 Å. There are three inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 7-coordinate geometry to four equivalent K1+, two equivalent Cu1+, and one Te+0.80- atom. The Te–Te bond length is 2.88 Å. In the second Te+0.80- site, Te+0.80- is bonded in a 2-coordinate geometry to four equivalent K1+, two equivalent Cu1+, and one Te+0.80- atom. The Te–Te bond length is 2.86 Å. In the third Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Te+0.80- atoms.

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36 MATERIALS SCIENCEcrystal structureCu-K-TeK2Cu2Te5

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2020-07-14. Materials Data on K2Cu2Te5 by Materials Project. https://doi.org/10.17188/1204279

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