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Title: Materials Data on Ga2AsRh5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1193167· OSTI ID:1193167

Rh5Ga2As crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to four equivalent Ga and two equivalent As atoms. There are a spread of Rh–Ga bond distances ranging from 2.51–3.09 Å. Both Rh–As bond lengths are 2.48 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to four equivalent Ga and one As atom. There are two shorter (2.57 Å) and two longer (2.79 Å) Rh–Ga bond lengths. The Rh–As bond length is 2.43 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Ga and two equivalent As atoms. All Rh–Ga bond lengths are 2.63 Å. Both Rh–As bond lengths are 2.76 Å. Ga is bonded in a 10-coordinate geometry to ten Rh atoms. As is bonded in a body-centered cubic geometry to eight 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:
1193167
Report Number(s):
mp-18561
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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