Materials Data on PbIBr by Materials Project

Dataset · Fri Jul 17 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1276273· OSTI ID:1276273

The Materials Project

PbIBr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to four equivalent I1- and four equivalent Br1- atoms. There are two shorter (3.21 Å) and two longer (3.87 Å) Pb–I bond lengths. There are a spread of Pb–Br bond distances ranging from 2.97–3.66 Å. I1- is bonded in a 2-coordinate geometry to four equivalent Pb2+ atoms. Br1- is bonded in a 3-coordinate geometry to four equivalent Pb2+ 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: 1276273
• Report Number(s): mp-571465
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
PbIBr
Br-I-Pb