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Title: Materials Data on Li3Pd by Materials Project

Abstract

Li3Pd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pd atoms. All Li–Li bond lengths are 2.68 Å. All Li–Pd bond lengths are 3.09 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Pd atoms to form a mixture of distorted corner, edge, and face-sharing LiLi4Pd4 tetrahedra. All Li–Pd bond lengths are 2.68 Å. Pd is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

Publication Date:
Other Number(s):
mp-11489
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; Li3Pd; Li-Pd
OSTI Identifier:
1188000
DOI:
10.17188/1188000

Citation Formats

The Materials Project. Materials Data on Li3Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188000.
The Materials Project. Materials Data on Li3Pd by Materials Project. United States. doi:10.17188/1188000.
The Materials Project. 2020. "Materials Data on Li3Pd by Materials Project". United States. doi:10.17188/1188000. https://www.osti.gov/servlets/purl/1188000. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188000,
title = {Materials Data on Li3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Li3Pd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pd atoms. All Li–Li bond lengths are 2.68 Å. All Li–Pd bond lengths are 3.09 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Pd atoms to form a mixture of distorted corner, edge, and face-sharing LiLi4Pd4 tetrahedra. All Li–Pd bond lengths are 2.68 Å. Pd is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.},
doi = {10.17188/1188000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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