Materials Data on Zr6Co16Ge7 by Materials Project
Zr6Co16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to eight Co and four equivalent Ge atoms. There are four shorter (2.81 Å) and four longer (2.82 Å) Zr–Co bond lengths. All Zr–Ge bond lengths are 2.94 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 7-coordinate geometry to three equivalent Zr, six Co, and four Ge atoms. There are three shorter (2.55 Å) and three longer (2.80 Å) Co–Co bond lengths. There are one shorter (2.42 Å) and three longer (2.54 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Zr, six Co, and three equivalent Ge atoms. All Co–Co bond lengths are 2.62 Å. All Co–Ge bond lengths are 2.36 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Co atoms. In the second Ge site, Ge is bonded to four equivalent Zr and eight Co atoms to form a mixture of corner and face-sharing GeZr4Co8 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:
- 1281889
- Report Number(s):
- mp-672654
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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