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Title: Materials Data on Li2AlPd by Materials Project

Abstract

Li2PdAl 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 Li, six equivalent Pd, and four equivalent Al atoms to form distorted LiLi4Al4Pd6 tetrahedra that share corners with eighteen LiLi4Pd4 tetrahedra and faces with sixteen LiLi4Al4Pd6 tetrahedra. All Li–Li bond lengths are 2.64 Å. All Li–Pd bond lengths are 3.05 Å. All Li–Al bond lengths are 2.64 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Pd atoms to form distorted LiLi4Pd4 tetrahedra that share corners with twelve equivalent LiLi4Al4Pd6 tetrahedra, edges with twelve equivalent LiLi4Pd4 tetrahedra, and faces with four equivalent LiLi4Al4Pd6 tetrahedra. All Li–Pd bond lengths are 2.64 Å. Pd is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Al atoms. All Pd–Al bond lengths are 2.64 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.

Authors:
Publication Date:
Other Number(s):
mp-30816
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; Li2AlPd; Al-Li-Pd
OSTI Identifier:
1205177
DOI:
https://doi.org/10.17188/1205177

Citation Formats

The Materials Project. Materials Data on Li2AlPd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205177.
The Materials Project. Materials Data on Li2AlPd by Materials Project. United States. doi:https://doi.org/10.17188/1205177
The Materials Project. 2020. "Materials Data on Li2AlPd by Materials Project". United States. doi:https://doi.org/10.17188/1205177. https://www.osti.gov/servlets/purl/1205177. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205177,
title = {Materials Data on Li2AlPd by Materials Project},
author = {The Materials Project},
abstractNote = {Li2PdAl 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 Li, six equivalent Pd, and four equivalent Al atoms to form distorted LiLi4Al4Pd6 tetrahedra that share corners with eighteen LiLi4Pd4 tetrahedra and faces with sixteen LiLi4Al4Pd6 tetrahedra. All Li–Li bond lengths are 2.64 Å. All Li–Pd bond lengths are 3.05 Å. All Li–Al bond lengths are 2.64 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Pd atoms to form distorted LiLi4Pd4 tetrahedra that share corners with twelve equivalent LiLi4Al4Pd6 tetrahedra, edges with twelve equivalent LiLi4Pd4 tetrahedra, and faces with four equivalent LiLi4Al4Pd6 tetrahedra. All Li–Pd bond lengths are 2.64 Å. Pd is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Al atoms. All Pd–Al bond lengths are 2.64 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.},
doi = {10.17188/1205177},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}