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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Zn3Ni2Ge by Materials Project

Ni2Zn3Ge crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ni is bonded in a 12-coordinate geometry to three equivalent Ni, six equivalent Zn, and three equivalent Ge atoms. All Ni–Ni bond lengths are 2.73 Å. There are three shorter (2.50 Å) and three longer (2.83 Å) Ni–Zn bond lengths. All Ni–Ge bond lengths are 2.39 Å. Zn is bonded in a 2-coordinate geometry to four equivalent Ni and two equivalent Ge atoms. Both Zn–Ge bond lengths are 2.84 Å. Ge is bonded to six equivalent Ni and six equivalent Zn atoms to form face-sharing GeZn6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnNi2Ge by Materials Project

Ni2ZnGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ni is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Ge atoms. All Ni–Zn bond lengths are 2.52 Å. All Ni–Ge bond lengths are 2.52 Å. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Ge atoms. All Zn–Ge bond lengths are 2.91 Å. Ge is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn6Ni7Ge2 by Materials Project

Ni7Zn6Ge2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to six Zn and two equivalent Ge atoms. There are a spread of Ni–Zn bond distances ranging from 2.48–2.51 Å. Both Ni–Ge bond lengths are 2.49 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Zn atoms. There are four shorter (2.49 Å) and four longer (2.52 Å) Ni–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to seven Ni and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.86 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight Ni atoms. Ge is bonded to six equivalent Ni and six equivalent Zn atoms to form face-sharing GeZn6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn4Ni5Ge by Materials Project

Ni5Zn4Ge is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Ge atoms. All Ni–Zn bond lengths are 2.56 Å. All Ni–Ge bond lengths are 2.49 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Zn atoms. There are four shorter (2.50 Å) and four longer (2.51 Å) Ni–Zn bond lengths. In the third Ni site, Ni is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ni–Zn bond lengths are 2.51 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted body-centered cubic geometry to eight Ni atoms. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight Ni atoms. Ge is bonded in a distorted body-centered cubic geometry to eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗