Materials Data on BiI3 by Materials Project

Dataset · Fri Jul 24 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1325043· OSTI ID:1325043

The Materials Project

BiI3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Bi3+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Bi–I bond lengths are 3.52 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All I–I bond lengths are 3.52 Å. In the second I1- site, I1- is bonded to four equivalent Bi3+ and four equivalent I1- atoms to form a mixture of distorted edge, corner, and face-sharing IBi4I4 tetrahedra.

• 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: 1325043
• Report Number(s): mp-1008490
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BiI3
Bi-I