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DOE OSTI2020

Materials Data on HfNi2Sb by Materials Project

HfNi2Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Sb atoms. All Hf–Ni bond lengths are 2.65 Å. All Hf–Sb bond lengths are 3.18 Å. Ni is bonded in a 8-coordinate geometry to three equivalent Hf, one Ni, and four equivalent Sb atoms. The Ni–Ni bond length is 2.37 Å. There are one shorter (2.59 Å) and three longer (2.82 Å) Ni–Sb bond lengths. Sb is bonded in a 2-coordinate geometry to six equivalent Hf and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on HfNi2Sb by Materials Project

HfNi2Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 8-coordinate geometry to eight equivalent Ni and six equivalent Sb atoms. There are six shorter (2.74 Å) and two longer (2.84 Å) Hf–Ni bond lengths. All Hf–Sb bond lengths are 3.18 Å. Ni is bonded in a 8-coordinate geometry to four equivalent Hf, one Ni, and three equivalent Sb atoms. The Ni–Ni bond length is 2.53 Å. All Ni–Sb bond lengths are 2.55 Å. Sb is bonded to six equivalent Hf and six equivalent Ni atoms to form a mixture of distorted face and corner-sharing SbHf6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗