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Materials Data on SmSi3Rh by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1745103· OSTI ID:1745103
SmRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to five equivalent Rh and twelve Si atoms. There are four shorter (3.34 Å) and one longer (3.40 Å) Sm–Rh bond lengths. There are a spread of Sm–Si bond distances ranging from 3.09–3.34 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Sm and five Si atoms. All Rh–Si bond lengths are 2.36 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Sm, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.58 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Sm, two equivalent Rh, and two equivalent Si atoms.
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:
1745103
Report Number(s):
mp-1069765
Country of Publication:
United States
Language:
English

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