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DOE OSTI · 1310372

Materials Data on NaCd3 by Materials Project

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Abstract

NaCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Cd atoms. There are eight shorter (3.13 Å) and six longer (3.62 Å) Na–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Na and four equivalent Cd atoms to form a mixture of distorted face, edge, and corner-sharing CdNa4Cd4 tetrahedra. All Cd–Cd bond lengths are 3.13 Å. In the second Cd site, Cd is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Cd atoms.

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36 MATERIALS SCIENCECd-Nacrystal structureNaCd3

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2020-07-23. Materials Data on NaCd3 by Materials Project. https://doi.org/10.17188/1310372

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