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Title: Materials Data on Ta6Co16Ge7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1281887· OSTI ID:1281887

Ta6Co16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to eight Co and four equivalent Ge atoms. There are four shorter (2.68 Å) and four longer (2.81 Å) Ta–Co bond lengths. All Ta–Ge bond lengths are 2.89 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 1-coordinate geometry to three equivalent Ta, six Co, and four Ge atoms. There are three shorter (2.56 Å) and three longer (2.70 Å) Co–Co bond lengths. There are one shorter (2.34 Å) and three longer (2.50 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 6-coordinate geometry to three equivalent Ta, three equivalent Co, and three equivalent Ge atoms. All Co–Ge bond lengths are 2.32 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 Ta and eight Co atoms to form a mixture of distorted corner and face-sharing GeTa4Co8 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:
1281887
Report Number(s):
mp-672652
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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