Materials Data on LiZnP by Materials Project

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

DOI:https://doi.org/10.17188/1275212· OSTI ID:1275212

The Materials Project

LiZnP is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to four equivalent Zn2+ and four equivalent P3- atoms. All Li–Zn bond lengths are 2.45 Å. All Li–P bond lengths are 2.45 Å. Zn2+ is bonded in a 4-coordinate geometry to four equivalent Li1+ and six equivalent P3- atoms. All Zn–P bond lengths are 2.83 Å. P3- is bonded to four equivalent Li1+ and six equivalent Zn2+ atoms to form a mixture of distorted corner and face-sharing PLi4Zn6 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: 1275212
• Report Number(s): mp-569685
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
LiZnP
Li-P-Zn