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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 ZnNi13Ge8 by Materials Project

Ni13ZnGe8 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are eight inequivalent Ni sites. In the first Ni site, Ni is bonded to six Ni and six Ge atoms to form a mixture of distorted corner, edge, and face-sharing NiNi6Ge6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.53–2.69 Å. There are four shorter (2.46 Å) and two longer (2.61 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 11-coordinate geometry to five Ni, one Zn, and five Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.57–2.65 Å. The Ni–Zn bond length is 2.52 Å. There are a spread of Ni–Ge bond distances ranging from 2.34–2.57 Å. In the third Ni site, Ni is bonded to six Ni and six Ge atoms to form a mixture of distorted corner, edge, and face-sharing NiNi6Ge6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.54–2.69 Å. There are four shorter (2.46 Å) and two longer (2.60 Å) Ni–Ge bond lengths. In the fourth Ni site, Ni is bonded to six Ni and six Ge atoms to form a mixture of distorted corner, edge, and face-sharing NiNi6Ge6 cuboctahedra. Both Ni–Ni bond lengths are 2.58 Å. There are a spread of Ni–Ge bond distances ranging from 2.50–2.61 Å. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to six Ni, one Zn, and six Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.54–2.66 Å. The Ni–Zn bond length is 2.52 Å. There are a spread of Ni–Ge bond distances ranging from 2.46–2.90 Å. In the sixth Ni site, Ni is bonded to six Ni and six Ge atoms to form a mixture of distorted corner, edge, and face-sharing NiNi6Ge6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.59–2.62 Å. There are a spread of Ni–Ge bond distances ranging from 2.50–2.61 Å. In the seventh Ni site, Ni is bonded in a 11-coordinate geometry to five Ni, one Zn, and five Ge atoms. The Ni–Zn bond length is 2.51 Å. There are a spread of Ni–Ge bond distances ranging from 2.35–2.59 Å. In the eighth Ni site, Ni is bonded in a 11-coordinate geometry to five Ni, one Zn, and five Ge atoms. The Ni–Zn bond length is 2.52 Å. There are a spread of Ni–Ge bond distances ranging from 2.34–2.63 Å. Zn is bonded in a 8-coordinate geometry to eight Ni and four Ge atoms. There are two shorter (2.90 Å) and two longer (2.91 Å) Zn–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to eight Ni atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to nine Ni and one Zn atom. In the third Ge site, Ge is bonded in a 10-coordinate geometry to ten Ni atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to nine Ni and one Zn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnNi9Ge2 by Materials Project

Ni9ZnGe2 is beta Cu3Ti-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are five inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni, two equivalent Zn, and two equivalent Ge atoms to form distorted NiZn2Ni8Ge2 cuboctahedra that share corners with twelve NiZn2Ni8Ge2 cuboctahedra, edges with four equivalent ZnNi12 cuboctahedra, edges with four equivalent GeNi12 cuboctahedra, edges with sixteen NiZn2Ni8Ge2 cuboctahedra, faces with two equivalent ZnNi12 cuboctahedra, faces with two equivalent GeNi12 cuboctahedra, and faces with fourteen NiZn2Ni8Ge2 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.47–2.58 Å. Both Ni–Zn bond lengths are 2.51 Å. Both Ni–Ge bond lengths are 2.50 Å. In the second Ni site, Ni is bonded to eight Ni and four equivalent Ge atoms to form NiNi8Ge4 cuboctahedra that share corners with twelve NiZn2Ni8Ge2 cuboctahedra, edges with eight equivalent GeNi12 cuboctahedra, edges with sixteen NiNi8Ge4 cuboctahedra, faces with four equivalent GeNi12 cuboctahedra, and faces with fourteen NiNi8Ge4 cuboctahedra. There are four shorter (2.51 Å) and four longer (2.58 Å) Ni–Ni bond lengths. All Ni–Ge bond lengths are 2.49 Å. In the third Ni site, Ni is bonded to eight Ni, two equivalent Zn, and two equivalent Ge atoms to form distorted NiZn2Ni8Ge2 cuboctahedra that share corners with twelve NiNi8Ge4 cuboctahedra, edges with four equivalent ZnNi12 cuboctahedra, edges with four equivalent GeNi12 cuboctahedra, edges with sixteen NiZn2Ni8Ge2 cuboctahedra, faces with two equivalent ZnNi12 cuboctahedra, faces with two equivalent GeNi12 cuboctahedra, and faces with fourteen NiZn2Ni8Ge2 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.47–2.58 Å. Both Ni–Zn bond lengths are 2.51 Å. Both Ni–Ge bond lengths are 2.50 Å. In the fourth Ni site, Ni is bonded to eight equivalent Ni and four equivalent Zn atoms to form NiZn4Ni8 cuboctahedra that share corners with four equivalent NiZn4Ni8 cuboctahedra, corners with eight equivalent GeNi12 cuboctahedra, edges with twenty-four NiNi8Ge4 cuboctahedra, faces with two equivalent GeNi12 cuboctahedra, faces with four equivalent ZnNi12 cuboctahedra, and faces with twelve NiZn4Ni8 cuboctahedra. All Ni–Zn bond lengths are 2.58 Å. In the fifth Ni site, Ni is bonded to eight Ni and four equivalent Ge atoms to form NiNi8Ge4 cuboctahedra that share corners with four equivalent NiNi8Ge4 cuboctahedra, corners with four equivalent ZnNi12 cuboctahedra, corners with four equivalent GeNi12 cuboctahedra, edges with twenty-four NiZn4Ni8 cuboctahedra, a faceface with one ZnNi12 cuboctahedra, faces with five equivalent GeNi12 cuboctahedra, and faces with twelve NiZn2Ni8Ge2 cuboctahedra. All Ni–Ge bond lengths are 2.58 Å. Zn is bonded to twelve Ni atoms to form ZnNi12 cuboctahedra that share corners with four equivalent ZnNi12 cuboctahedra, corners with eight equivalent NiNi8Ge4 cuboctahedra, edges with eight equivalent GeNi12 cuboctahedra, edges with sixteen equivalent NiZn2Ni8Ge2 cuboctahedra, faces with four equivalent ZnNi12 cuboctahedra, and faces with fourteen NiZn4Ni8 cuboctahedra. Ge is bonded to twelve Ni atoms to form GeNi12 cuboctahedra that share corners with four equivalent GeNi12 cuboctahedra, corners with eight NiZn4Ni8 cuboctahedra, edges with four equivalent ZnNi12 cuboctahedra, edges with four equivalent GeNi12 cuboctahedra, edges with sixteen NiZn2Ni8Ge2 cuboctahedra, faces with four equivalent GeNi12 cuboctahedra, and faces with fourteen NiZn2Ni8Ge2 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↗