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DOE OSTI · 1653779

Materials Data on CuGeI3 by Materials Project

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Abstract

CuGeI3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cu1+ is bonded in a 4-coordinate geometry to four equivalent I1- atoms. All Cu–I bond lengths are 3.30 Å. Ge2+ is bonded to six I1- atoms to form corner-sharing GeI6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. There are two shorter (2.75 Å) and four longer (3.05 Å) Ge–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Ge2+ atoms. In the second I1- site, I1- is bonded to two equivalent Cu1+ and two equivalent Ge2+ atoms to form a mixture of distorted edge and corner-sharing ICu2Ge2 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureCu-Ge-ICuGeI3

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2020-07-18. Materials Data on CuGeI3 by Materials Project. https://doi.org/10.17188/1653779

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