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Title: Materials Data on Na2LiTa by Materials Project

Abstract

Na2LiTa crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Ta atoms to form distorted edge-sharing NaNa4Ta4 tetrahedra. All Na–Na bond lengths are 3.10 Å. All Na–Ta bond lengths are 3.10 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to four equivalent Na, four equivalent Li, and six equivalent Ta atoms. All Na–Li bond lengths are 3.10 Å. All Na–Ta bond lengths are 3.58 Å. Li is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Ta atoms. All Li–Ta bond lengths are 3.10 Å. Ta is bonded in a distorted body-centered cubic geometry to ten Na and four equivalent Li atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631339
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; Na2LiTa; Li-Na-Ta
OSTI Identifier:
1279081
DOI:
10.17188/1279081

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2LiTa by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279081.
Persson, Kristin, & Project, Materials. Materials Data on Na2LiTa by Materials Project. United States. doi:10.17188/1279081.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2LiTa by Materials Project". United States. doi:10.17188/1279081. https://www.osti.gov/servlets/purl/1279081. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1279081,
title = {Materials Data on Na2LiTa by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2LiTa crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Ta atoms to form distorted edge-sharing NaNa4Ta4 tetrahedra. All Na–Na bond lengths are 3.10 Å. All Na–Ta bond lengths are 3.10 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to four equivalent Na, four equivalent Li, and six equivalent Ta atoms. All Na–Li bond lengths are 3.10 Å. All Na–Ta bond lengths are 3.58 Å. Li is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Ta atoms. All Li–Ta bond lengths are 3.10 Å. Ta is bonded in a distorted body-centered cubic geometry to ten Na and four equivalent Li atoms.},
doi = {10.17188/1279081},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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