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Materials Data on Sm3(GeRu)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1720111· OSTI ID:1720111
Sm3Ru2Ge2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. There are a spread of Sm–Ru bond distances ranging from 2.87–3.15 Å. There are a spread of Sm–Ge bond distances ranging from 3.09–3.54 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. There are two shorter (3.04 Å) and two longer (3.25 Å) Sm–Ru bond lengths. There are a spread of Sm–Ge bond distances ranging from 3.06–3.41 Å. Ru is bonded in a 9-coordinate geometry to six Sm and three Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.56–2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Sm and two equivalent Ru atoms. In the second Ge site, Ge is bonded to eight Sm and four equivalent Ru atoms to form a mixture of distorted corner, edge, and face-sharing GeSm8Ru4 cuboctahedra.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1720111
Report Number(s):
mp-1194691
Country of Publication:
United States
Language:
English

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