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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BaAgSb by Materials Project

BaSbAg crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional and consists of two silver molecules and one BaSb framework. In the BaSb framework, Ba2+ is bonded to five equivalent Sb3- atoms to form a mixture of edge and corner-sharing BaSb5 trigonal bipyramids. There are three shorter (3.33 Å) and two longer (3.48 Å) Ba–Sb bond lengths. Sb3- is bonded to five equivalent Ba2+ atoms to form a mixture of edge and corner-sharing SbBa5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba2AgSb by Materials Project

Ba2AgSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Sb atoms. All Ba–Ag bond lengths are 3.63 Å. All Ba–Sb bond lengths are 3.63 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Ba atoms. Sb is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaAgSb by Materials Project

BaAgSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Sb3- atoms to form a mixture of face, edge, and corner-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ba–Sb bond lengths are 3.68 Å. Ag1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Ag–Sb bond lengths are 2.84 Å. Sb3- is bonded in a 9-coordinate geometry to six equivalent Ba2+ and three equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗