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DOE OSTI2020

Materials Data on DySbPt by Materials Project

DyPtSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy3+ is bonded to four equivalent Pt2- and six equivalent Sb1- atoms to form a mixture of distorted corner and face-sharing DySb6Pt4 tetrahedra. All Dy–Pt bond lengths are 2.86 Å. All Dy–Sb bond lengths are 3.31 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Dy3+ and four equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.86 Å. Sb1- is bonded in a 10-coordinate geometry to six equivalent Dy3+ and four equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Dy5SbPt2 by Materials Project

Dy5Pt2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pt and two equivalent Sb atoms to form distorted corner-sharing DySb2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Dy–Pt bond lengths are 3.00 Å. Both Dy–Sb bond lengths are 3.42 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Sb atoms. There are one shorter (2.93 Å) and two longer (2.97 Å) Dy–Pt bond lengths. Both Dy–Sb bond lengths are 3.29 Å. Pt is bonded in a 8-coordinate geometry to eight Dy atoms. Sb is bonded in a distorted q6 geometry to ten Dy atoms.

36 MATERIALS SCIENCE↗