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Materials Data on LaRh3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274934· OSTI ID:1274934
Rh3La crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to twelve Rh atoms. There are a spread of La–Rh bond distances ranging from 3.10–3.43 Å. In the second La site, La is bonded in a distorted hexagonal planar geometry to eighteen Rh atoms. There are six shorter (3.11 Å) and twelve longer (3.46 Å) La–Rh bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded to five La and seven Rh atoms to form a mixture of distorted face, edge, and corner-sharing RhLa5Rh7 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.66–2.77 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Rh atoms. In the third Rh site, Rh is bonded to six equivalent La and six equivalent Rh atoms to form RhLa6Rh6 cuboctahedra that share corners with twelve equivalent RhLa5Rh7 cuboctahedra, edges with six equivalent RhLa6Rh6 cuboctahedra, and faces with eighteen equivalent RhLa5Rh7 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:
1274934
Report Number(s):
mp-569100
Country of Publication:
United States
Language:
English

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