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Title: Materials Data on SrLi2(SiN2)2 by Materials Project

Abstract

Li2Sr(SiN2)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.10–2.31 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. All Sr–N bond lengths are 2.79 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are three shorter (2.68 Å) and three longer (2.71 Å) Sr–N bond lengths. Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.78 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to two equivalent Li1+, one Sr2+, and two equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent Li1+, two Sr2+, and two equivalent Si4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-978840
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; SrLi2(SiN2)2; Li-N-Si-Sr
OSTI Identifier:
1316002
DOI:
https://doi.org/10.17188/1316002

Citation Formats

The Materials Project. Materials Data on SrLi2(SiN2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316002.
The Materials Project. Materials Data on SrLi2(SiN2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1316002
The Materials Project. 2020. "Materials Data on SrLi2(SiN2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1316002. https://www.osti.gov/servlets/purl/1316002. Pub date:Sat May 30 00:00:00 EDT 2020
@article{osti_1316002,
title = {Materials Data on SrLi2(SiN2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Sr(SiN2)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.10–2.31 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. All Sr–N bond lengths are 2.79 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are three shorter (2.68 Å) and three longer (2.71 Å) Sr–N bond lengths. Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.78 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to two equivalent Li1+, one Sr2+, and two equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent Li1+, two Sr2+, and two equivalent Si4+ atoms.},
doi = {10.17188/1316002},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}