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DOE OSTI2020

Materials Data on LaSbPt by Materials Project

LaPtSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to six equivalent Pt2- and four equivalent Sb1- atoms. All La–Pt bond lengths are 3.47 Å. All La–Sb bond lengths are 3.01 Å. Pt2- is bonded in a distorted q6 geometry to six equivalent La3+ and four equivalent Sb1- atoms. All Pt–Sb bond lengths are 3.01 Å. Sb1- is bonded in a body-centered cubic geometry to four equivalent La3+ and four equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LaSbPt by Materials Project

LaPtSb crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La3+ is bonded in a 2-coordinate geometry to six equivalent Pt2- and four equivalent Sb1- atoms. There are a spread of La–Pt bond distances ranging from 2.93–3.48 Å. There are a spread of La–Sb bond distances ranging from 3.42–3.52 Å. Pt2- is bonded in a 9-coordinate geometry to six equivalent La3+ and three equivalent Pt2- atoms. There are two shorter (2.74 Å) and one longer (2.89 Å) Pt–Pt bond lengths. Sb1- is bonded to four equivalent La3+ and three equivalent Sb1- atoms to form distorted edge-sharing SbLa4Sb3 pentagonal bipyramids. There are two shorter (2.84 Å) and one longer (3.07 Å) Sb–Sb bond lengths.

36 MATERIALS SCIENCE↗