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Title: Materials Data on Sr4Li2Si4N8O by Materials Project

Abstract

Li2Sr4Si4N8O crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Li1+ is bonded in a distorted single-bond geometry to four equivalent N3- and one O2- atom. All Li–N bond lengths are 2.25 Å. The Li–O bond length is 1.78 Å. Sr2+ is bonded in a 8-coordinate geometry to seven N3- and one O2- atom. There are a spread of Sr–N bond distances ranging from 2.63–3.02 Å. The Sr–O bond length is 2.54 Å. Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There is three shorter (1.74 Å) and one longer (1.76 Å) Si–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 7-coordinate geometry to two equivalent Li1+, three equivalent Sr2+, and two equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four equivalent Sr2+ and two equivalent Si4+ atoms. O2- is bonded in a distorted octahedral geometry to two equivalent Li1+ and four equivalent Sr2+ atoms.

Publication Date:
Other Number(s):
mp-1020592
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; Sr4Li2Si4N8O; Li-N-O-Si-Sr
OSTI Identifier:
1351410
DOI:
10.17188/1351410

Citation Formats

The Materials Project. Materials Data on Sr4Li2Si4N8O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1351410.
The Materials Project. Materials Data on Sr4Li2Si4N8O by Materials Project. United States. doi:10.17188/1351410.
The Materials Project. 2020. "Materials Data on Sr4Li2Si4N8O by Materials Project". United States. doi:10.17188/1351410. https://www.osti.gov/servlets/purl/1351410. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1351410,
title = {Materials Data on Sr4Li2Si4N8O by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Sr4Si4N8O crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Li1+ is bonded in a distorted single-bond geometry to four equivalent N3- and one O2- atom. All Li–N bond lengths are 2.25 Å. The Li–O bond length is 1.78 Å. Sr2+ is bonded in a 8-coordinate geometry to seven N3- and one O2- atom. There are a spread of Sr–N bond distances ranging from 2.63–3.02 Å. The Sr–O bond length is 2.54 Å. Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There is three shorter (1.74 Å) and one longer (1.76 Å) Si–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 7-coordinate geometry to two equivalent Li1+, three equivalent Sr2+, and two equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four equivalent Sr2+ and two equivalent Si4+ atoms. O2- is bonded in a distorted octahedral geometry to two equivalent Li1+ and four equivalent Sr2+ atoms.},
doi = {10.17188/1351410},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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