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DOE OSTI · 1196493

Materials Data on CaIn4Rh by Materials Project

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Abstract

CaRhIn4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to one Rh and twelve In atoms. The Ca–Rh bond length is 3.08 Å. There are a spread of Ca–In bond distances ranging from 3.32–3.75 Å. Rh is bonded in a 9-coordinate geometry to one Ca and eight In atoms. There are a spread of Rh–In bond distances ranging from 2.64–2.92 Å. There are three inequivalent In sites. In the first In site, In is bonded in a linear geometry to two equivalent Ca and two equivalent Rh atoms. In the second In site, In is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca and two equivalent Rh atoms. In the third In site, In is bonded in a 2-coordinate geometry to four equivalent Ca and two equivalent Rh atoms.

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36 MATERIALS SCIENCECa-In-RhCaIn4Rhcrystal structure

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2020-07-17. Materials Data on CaIn4Rh by Materials Project. https://doi.org/10.17188/1196493

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