Materials Data on Mg8BRh4 by Materials Project

Dataset · Sun May 03 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1274552· OSTI ID:1274552

The Materials Project

Mg8Rh4B crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four equivalent Rh atoms. There are two shorter (2.73 Å) and two longer (3.01 Å) Mg–Rh bond lengths. In the second Mg site, Mg is bonded to six equivalent Rh and two equivalent B atoms to form face-sharing MgB2Rh6 hexagonal bipyramids. All Mg–Rh bond lengths are 2.75 Å. Both Mg–B bond lengths are 2.65 Å. Rh is bonded in a 10-coordinate geometry to nine Mg and one B atom. The Rh–B bond length is 2.03 Å. B is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent 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: 1274552
• Report Number(s): mp-568621
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Mg8BRh4
B-Mg-Rh