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Title: Materials Data on Tm3(FeGe)4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1758694· OSTI ID:1758694

Tm3(FeGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to six Ge atoms to form distorted edge-sharing TmGe6 octahedra. There are four shorter (2.91 Å) and two longer (2.97 Å) Tm–Ge bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to six equivalent Fe and six Ge atoms. There are two shorter (2.91 Å) and four longer (3.06 Å) Tm–Fe bond lengths. There are two shorter (2.89 Å) and four longer (2.99 Å) Tm–Ge bond lengths. Fe is bonded in a 4-coordinate geometry to three equivalent Tm, one Fe, and four Ge atoms. The Fe–Fe bond length is 2.46 Å. There are a spread of Fe–Ge bond distances ranging from 2.48–2.55 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Tm and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, two equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.67 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:
1758694
Report Number(s):
mp-1095685
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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