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Results for “Hf-Ni-Sb”

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DOE OSTI2020

Materials Data on Hf6NiSb2 by Materials Project

Hf6NiSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Sb atoms. Both Hf–Ni bond lengths are 2.59 Å. Both Hf–Sb bond lengths are 3.00 Å. In the second Hf site, Hf is bonded in a 5-coordinate geometry to one Ni and four equivalent Sb atoms. The Hf–Ni bond length is 3.07 Å. All Hf–Sb bond lengths are 2.98 Å. Ni is bonded in a 9-coordinate geometry to nine Hf atoms. Sb is bonded in a 9-coordinate geometry to nine Hf 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 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 Hf3Ni3Sb4 by Materials Project

Hf3Ni3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Ni and eight equivalent Sb atoms. All Hf–Ni bond lengths are 2.78 Å. All Hf–Sb bond lengths are 3.14 Å. Ni is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.54 Å. Sb is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗