Materials Data on BaHg2Bi by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1679273· OSTI ID:1679273

The Materials Project

BaHg2Bi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to eight equivalent Hg and six equivalent Bi atoms. All Ba–Hg bond lengths are 3.49 Å. All Ba–Bi bond lengths are 4.02 Å. Hg is bonded to four equivalent Ba and four equivalent Bi atoms to form a mixture of edge, face, and corner-sharing HgBa4Bi4 tetrahedra. All Hg–Bi bond lengths are 3.49 Å. Bi is bonded in a 6-coordinate geometry to six equivalent Ba and eight equivalent Hg 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: 1679273
• Report Number(s): mp-1183299
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BaHg2Bi
Ba-Bi-Hg