Materials Data on Li3Cu by Materials Project

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

DOI:https://doi.org/10.17188/1314900· OSTI ID:1314900

The Materials Project

Li3Cu is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Cu atoms to form a mixture of distorted corner and edge-sharing LiCu4 cuboctahedra. All Li–Cu bond lengths are 2.78 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Cu atoms. All Li–Cu bond lengths are 2.76 Å. Cu is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing CuLi12 cuboctahedra.

• 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: 1314900
• Report Number(s): mp-975882
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Li3Cu
Cu-Li