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Title: Materials Data on Li(Sn3Pd)2 by Materials Project

Abstract

Li(PdSn3)2 is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Li is bonded in a distorted q6 geometry to two equivalent Pd and eight equivalent Sn atoms. Both Li–Pd bond lengths are 2.85 Å. All Li–Sn bond lengths are 2.99 Å. Pd is bonded in a 9-coordinate geometry to one Li and eight Sn atoms. There are four shorter (2.82 Å) and four longer (2.97 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to four equivalent Pd atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Li and two equivalent Pd atoms.

Authors:
Publication Date:
Other Number(s):
mp-569331
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; Li(Sn3Pd)2; Li-Pd-Sn
OSTI Identifier:
1272625
DOI:
https://doi.org/10.17188/1272625

Citation Formats

The Materials Project. Materials Data on Li(Sn3Pd)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272625.
The Materials Project. Materials Data on Li(Sn3Pd)2 by Materials Project. United States. doi:https://doi.org/10.17188/1272625
The Materials Project. 2020. "Materials Data on Li(Sn3Pd)2 by Materials Project". United States. doi:https://doi.org/10.17188/1272625. https://www.osti.gov/servlets/purl/1272625. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1272625,
title = {Materials Data on Li(Sn3Pd)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li(PdSn3)2 is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Li is bonded in a distorted q6 geometry to two equivalent Pd and eight equivalent Sn atoms. Both Li–Pd bond lengths are 2.85 Å. All Li–Sn bond lengths are 2.99 Å. Pd is bonded in a 9-coordinate geometry to one Li and eight Sn atoms. There are four shorter (2.82 Å) and four longer (2.97 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to four equivalent Pd atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Li and two equivalent Pd atoms.},
doi = {10.17188/1272625},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}