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DOE OSTI · 1204469

Materials Data on BaCdSb2 by Materials Project

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Abstract

BaCdSb2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.61 Å) and four longer (3.62 Å) Ba–Sb bond lengths. Cd2+ is bonded to four equivalent Sb2- atoms to form a mixture of corner and edge-sharing CdSb4 tetrahedra. All Cd–Sb bond lengths are 2.97 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. In the second Sb2- site, Sb2- is bonded in a distorted body-centered cubic geometry to four equivalent Ba2+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.26 Å.

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36 MATERIALS SCIENCEBa-Cd-SbBaCdSb2crystal structure

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2020-07-16. Materials Data on BaCdSb2 by Materials Project. https://doi.org/10.17188/1204469

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