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Title: Materials Data on Li2GaPd by Materials Project

Abstract

Li2PdGa 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 Pd and four equivalent Ga atoms to form distorted LiGa4Pd6 tetrahedra that share corners with eighteen LiPd4 tetrahedra and faces with sixteen LiGa4Pd6 tetrahedra. All Li–Pd bond lengths are 3.05 Å. All Li–Ga bond lengths are 2.64 Å. In the second Li site, Li is bonded to four equivalent Pd atoms to form distorted LiPd4 tetrahedra that share corners with twenty-four LiPd4 tetrahedra and faces with four equivalent LiGa4Pd6 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 Ga atoms. All Pd–Ga bond lengths are 2.64 Å. Ga is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.

Publication Date:
Other Number(s):
mp-3201
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li2GaPd; Ga-Li-Pd
OSTI Identifier:
1206042
DOI:
https://doi.org/10.17188/1206042

Citation Formats

The Materials Project. Materials Data on Li2GaPd by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1206042.
The Materials Project. Materials Data on Li2GaPd by Materials Project. United States. doi:https://doi.org/10.17188/1206042
The Materials Project. 2017. "Materials Data on Li2GaPd by Materials Project". United States. doi:https://doi.org/10.17188/1206042. https://www.osti.gov/servlets/purl/1206042. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1206042,
title = {Materials Data on Li2GaPd by Materials Project},
author = {The Materials Project},
abstractNote = {Li2PdGa 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 Pd and four equivalent Ga atoms to form distorted LiGa4Pd6 tetrahedra that share corners with eighteen LiPd4 tetrahedra and faces with sixteen LiGa4Pd6 tetrahedra. All Li–Pd bond lengths are 3.05 Å. All Li–Ga bond lengths are 2.64 Å. In the second Li site, Li is bonded to four equivalent Pd atoms to form distorted LiPd4 tetrahedra that share corners with twenty-four LiPd4 tetrahedra and faces with four equivalent LiGa4Pd6 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 Ga atoms. All Pd–Ga bond lengths are 2.64 Å. Ga is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.},
doi = {10.17188/1206042},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}