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Title: Materials Data on Tb3(CuGe)4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1207534· OSTI ID:1207534

Tb3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.01 Å) and two longer (3.08 Å) Tb–Cu bond lengths. There are two shorter (3.00 Å) and four longer (3.07 Å) Tb–Ge bond lengths. In the second Tb site, Tb is bonded to six Ge atoms to form distorted edge-sharing TbGe6 octahedra. There are four shorter (2.95 Å) and two longer (3.03 Å) Tb–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Tb, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.52 Å. There are a spread of Cu–Ge bond distances ranging from 2.49–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Tb and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

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:
1207534
Report Number(s):
mp-3852
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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