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DOE OSTI · 1724900

Materials Data on CeGeBi2 by Materials Project

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Abstract

CeGeBi2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded to four equivalent Ge and eight Bi atoms to form a mixture of corner, edge, and face-sharing CeGe4Bi8 cuboctahedra. All Ce–Ge bond lengths are 3.28 Å. There are four shorter (3.33 Å) and four longer (3.51 Å) Ce–Bi bond lengths. Ge is bonded in a rectangular see-saw-like geometry to four equivalent Ce atoms. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.28 Å. In the second Bi site, Bi is bonded in a distorted square co-planar geometry to four equivalent Ce atoms.

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36 MATERIALS SCIENCEBi-Ce-GeCeGeBi2crystal structure

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2020-05-04. Materials Data on CeGeBi2 by Materials Project. https://doi.org/10.17188/1724900

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