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Title: Materials Data on NaLi2Sb by Materials Project

Abstract

Li2NaSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Sb3- atoms to form NaSb6 octahedra that share corners with six equivalent NaSb6 octahedra, corners with twenty-four equivalent LiSb4 tetrahedra, edges with twelve equivalent NaSb6 octahedra, and faces with eight equivalent LiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Sb bond lengths are 3.42 Å. Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with twelve equivalent NaSb6 octahedra, corners with sixteen equivalent LiSb4 tetrahedra, edges with six equivalent LiSb4 tetrahedra, and faces with four equivalent NaSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Li–Sb bond lengths are 2.97 Å. Sb3- is bonded in a distorted body-centered cubic geometry to six equivalent Na1+ and eight equivalent Li1+ atoms.

Publication Date:
Other Number(s):
mp-5077
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; NaLi2Sb; Li-Na-Sb
OSTI Identifier:
1262793
DOI:
https://doi.org/10.17188/1262793

Citation Formats

The Materials Project. Materials Data on NaLi2Sb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262793.
The Materials Project. Materials Data on NaLi2Sb by Materials Project. United States. doi:https://doi.org/10.17188/1262793
The Materials Project. 2020. "Materials Data on NaLi2Sb by Materials Project". United States. doi:https://doi.org/10.17188/1262793. https://www.osti.gov/servlets/purl/1262793. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1262793,
title = {Materials Data on NaLi2Sb by Materials Project},
author = {The Materials Project},
abstractNote = {Li2NaSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Sb3- atoms to form NaSb6 octahedra that share corners with six equivalent NaSb6 octahedra, corners with twenty-four equivalent LiSb4 tetrahedra, edges with twelve equivalent NaSb6 octahedra, and faces with eight equivalent LiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Sb bond lengths are 3.42 Å. Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with twelve equivalent NaSb6 octahedra, corners with sixteen equivalent LiSb4 tetrahedra, edges with six equivalent LiSb4 tetrahedra, and faces with four equivalent NaSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Li–Sb bond lengths are 2.97 Å. Sb3- is bonded in a distorted body-centered cubic geometry to six equivalent Na1+ and eight equivalent Li1+ atoms.},
doi = {10.17188/1262793},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}