Materials Data on Li2CuGe by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1207086· OSTI ID:1207086

Li2CuGe is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six equivalent Cu and four equivalent Ge atoms to form distorted LiCu6Ge4 tetrahedra that share corners with six equivalent LiCu6Ge4 tetrahedra, edges with twelve equivalent LiCu4Ge6 tetrahedra, and faces with sixteen LiCu6Ge4 tetrahedra. All Li–Cu bond lengths are 2.98 Å. All Li–Ge bond lengths are 2.58 Å. In the second Li site, Li is bonded to four equivalent Cu and six equivalent Ge atoms to form distorted LiCu4Ge6 tetrahedra that share corners with six equivalent LiCu4Ge6 tetrahedra, edges with twelve equivalent LiCu6Ge4 tetrahedra, and faces with sixteen LiCu6Ge4 tetrahedra. All Li–Cu bond lengths are 2.58 Å. All Li–Ge bond lengths are 2.98 Å. Cu is bonded in a 8-coordinate geometry to ten Li and four equivalent Ge atoms. All Cu–Ge bond lengths are 2.58 Å. Ge is bonded in a 4-coordinate geometry to ten Li and four equivalent Cu atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1207086
• Report Number(s): mp-35841
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-Ge-Li
Li2CuGe
crystal structure