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Title: Materials Data on Al5Rh2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1192768· OSTI ID:1192768

Al5Rh2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to nine Al atoms. There are six shorter (2.46 Å) and three longer (2.69 Å) Rh–Al bond lengths. In the second Rh site, Rh is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Rh–Al bond distances ranging from 2.48–2.79 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Rh atoms to form distorted face-sharing AlRh6 cuboctahedra. In the second Al site, Al is bonded in a 3-coordinate geometry to three Rh atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to four Rh atoms.

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:
1192768
Report Number(s):
mp-1791
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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