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DOE OSTI · 1752117

Materials Data on KCd3 by Materials Project

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Abstract

KCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to fourteen Cd atoms. There are eight shorter (3.39 Å) and six longer (3.91 Å) K–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent K and four equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing CdK4Cd4 tetrahedra. All Cd–Cd bond lengths are 3.39 Å. In the second Cd site, Cd is bonded in a 8-coordinate geometry to six equivalent K and eight equivalent Cd atoms.

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36 MATERIALS SCIENCECd-Kcrystal structureKCd3

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2020-05-02. Materials Data on KCd3 by Materials Project. https://doi.org/10.17188/1752117

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