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Title: Materials Data on Zr4Co7Ge6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1192923· OSTI ID:1192923

Zr4Co7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Zr is bonded to six equivalent Co and six equivalent Ge atoms to form ZrCo6Ge6 cuboctahedra that share corners with twelve equivalent ZrCo6Ge6 cuboctahedra, faces with six equivalent ZrCo6Ge6 cuboctahedra, and faces with two equivalent CoGe6 octahedra. All Zr–Co bond lengths are 2.79 Å. All Zr–Ge bond lengths are 2.85 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Ge atoms to form CoGe6 octahedra that share faces with eight equivalent ZrCo6Ge6 cuboctahedra. All Co–Ge bond lengths are 2.52 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to four equivalent Zr and four equivalent Ge atoms. All Co–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Zr and five Co atoms.

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:
1192923
Report Number(s):
mp-18135
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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