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DOE OSTI2020

Materials Data on GdNiSb by Materials Project

GdNiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Sb atoms. All Gd–Ni bond lengths are 2.77 Å. All Gd–Sb bond lengths are 3.20 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.77 Å. Sb is bonded in a distorted q6 geometry to six equivalent Gd and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Gd(NiSb)2 by Materials Project

GdNi2Sb2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Sb3- atoms. All Gd–Sb bond lengths are 3.38 Å. Ni+1.50+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.49 Å. Sb3- is bonded in a 9-coordinate geometry to four equivalent Gd3+, four equivalent Ni+1.50+, and one Sb3- atom. The Sb–Sb bond length is 2.87 Å.

36 MATERIALS SCIENCE↗