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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeSbAu by Materials Project

CeAuSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce3+ is bonded to six equivalent Au1- and six equivalent Sb2- atoms to form a mixture of face and edge-sharing CeSb6Au6 cuboctahedra. All Ce–Au bond lengths are 3.38 Å. All Ce–Sb bond lengths are 3.38 Å. Au1- is bonded in a 3-coordinate geometry to six equivalent Ce3+ and three equivalent Sb2- atoms. All Au–Sb bond lengths are 2.72 Å. Sb2- is bonded in a 3-coordinate geometry to six equivalent Ce3+ and three equivalent Au1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSbAu by Materials Project

CeAuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six equivalent Sb2- atoms to form distorted edge-sharing CeSb6 octahedra. All Ce–Sb bond lengths are 3.27 Å. In the second Ce3+ site, Ce3+ is bonded in a 12-coordinate geometry to six equivalent Au1- and six equivalent Sb2- atoms. All Ce–Au bond lengths are 3.09 Å. All Ce–Sb bond lengths are 3.54 Å. Au1- is bonded in a 6-coordinate geometry to three equivalent Ce3+ and three equivalent Sb2- atoms. All Au–Sb bond lengths are 2.82 Å. Sb2- is bonded in a 6-coordinate geometry to six Ce3+ and three equivalent Au1- atoms.

36 MATERIALS SCIENCE↗