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Materials Data on YSi2Rh3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1731377· OSTI ID:1731377
YRh3Si2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to two equivalent Y, twelve Rh, and six equivalent Si atoms. Both Y–Y bond lengths are 3.62 Å. There are a spread of Y–Rh bond distances ranging from 3.09–3.55 Å. There are a spread of Y–Si bond distances ranging from 3.16–3.30 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Y and four equivalent Si atoms. All Rh–Si bond lengths are 2.46 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Y and four equivalent Si atoms. There are two shorter (2.41 Å) and two longer (2.44 Å) Rh–Si bond lengths. Si is bonded in a 6-coordinate geometry to three equivalent Y and six Rh 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:
1731377
Report Number(s):
mp-1102541
Country of Publication:
United States
Language:
English

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