DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Li2GePd by Materials Project

Abstract

Li2PdGe 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 four equivalent Pd and six equivalent Ge atoms to form distorted LiGe6Pd4 tetrahedra that share corners with six equivalent LiGe6Pd4 tetrahedra, edges with twelve equivalent LiGe4Pd6 tetrahedra, and faces with sixteen LiGe6Pd4 tetrahedra. All Li–Pd bond lengths are 2.63 Å. All Li–Ge bond lengths are 3.04 Å. In the second Li site, Li is bonded to six equivalent Pd and four equivalent Ge atoms to form distorted LiGe4Pd6 tetrahedra that share corners with six equivalent LiGe4Pd6 tetrahedra, edges with twelve equivalent LiGe6Pd4 tetrahedra, and faces with sixteen LiGe6Pd4 tetrahedra. All Li–Pd bond lengths are 3.04 Å. All Li–Ge bond lengths are 2.63 Å. Pd is bonded in a 8-coordinate geometry to ten Li and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.63 Å. Ge is bonded in a 8-coordinate geometry to ten Li and four equivalent Pd atoms.

Authors:
Publication Date:
Other Number(s):
mp-1222657
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li2GePd; Ge-Li-Pd
OSTI Identifier:
1705965
DOI:
https://doi.org/10.17188/1705965

Citation Formats

The Materials Project. Materials Data on Li2GePd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705965.
The Materials Project. Materials Data on Li2GePd by Materials Project. United States. doi:https://doi.org/10.17188/1705965
The Materials Project. 2020. "Materials Data on Li2GePd by Materials Project". United States. doi:https://doi.org/10.17188/1705965. https://www.osti.gov/servlets/purl/1705965. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1705965,
title = {Materials Data on Li2GePd by Materials Project},
author = {The Materials Project},
abstractNote = {Li2PdGe 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 four equivalent Pd and six equivalent Ge atoms to form distorted LiGe6Pd4 tetrahedra that share corners with six equivalent LiGe6Pd4 tetrahedra, edges with twelve equivalent LiGe4Pd6 tetrahedra, and faces with sixteen LiGe6Pd4 tetrahedra. All Li–Pd bond lengths are 2.63 Å. All Li–Ge bond lengths are 3.04 Å. In the second Li site, Li is bonded to six equivalent Pd and four equivalent Ge atoms to form distorted LiGe4Pd6 tetrahedra that share corners with six equivalent LiGe4Pd6 tetrahedra, edges with twelve equivalent LiGe6Pd4 tetrahedra, and faces with sixteen LiGe6Pd4 tetrahedra. All Li–Pd bond lengths are 3.04 Å. All Li–Ge bond lengths are 2.63 Å. Pd is bonded in a 8-coordinate geometry to ten Li and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.63 Å. Ge is bonded in a 8-coordinate geometry to ten Li and four equivalent Pd atoms.},
doi = {10.17188/1705965},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}