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Title: Materials Data on Zn6Ni7Ge2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204462· OSTI ID:1204462

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1204462
Report Number(s):
mp-30030
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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