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Title: Materials Data on Sr2LiMgSi3 by Materials Project

Abstract

LiSr2MgSi3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to two equivalent Sr, one Mg, and four Si atoms. Both Li–Sr bond lengths are 3.19 Å. The Li–Mg bond length is 2.82 Å. There are a spread of Li–Si bond distances ranging from 2.76–2.86 Å. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Sr–Si bond distances ranging from 3.23–3.36 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to two equivalent Li, three equivalent Mg, and six Si atoms. There are one shorter (3.30 Å) and two longer (3.33 Å) Sr–Mg bond lengths. There are a spread of Sr–Si bond distances ranging from 3.24–3.35 Å. Mg is bonded in a 12-coordinate geometry to one Li, three equivalent Sr, and four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–2.86 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Li, three Sr, and three equivalent Mg atoms. In the second Simore » site, Si is bonded in a 1-coordinate geometry to six Sr, one Mg, and two equivalent Si atoms. There are one shorter (2.38 Å) and one longer (2.40 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 1-coordinate geometry to one Li, six Sr, and two equivalent Si atoms.« less

Publication Date:
Other Number(s):
mp-1218749
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; Sr2LiMgSi3; Li-Mg-Si-Sr
OSTI Identifier:
1724935
DOI:
https://doi.org/10.17188/1724935

Citation Formats

The Materials Project. Materials Data on Sr2LiMgSi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724935.
The Materials Project. Materials Data on Sr2LiMgSi3 by Materials Project. United States. doi:https://doi.org/10.17188/1724935
The Materials Project. 2020. "Materials Data on Sr2LiMgSi3 by Materials Project". United States. doi:https://doi.org/10.17188/1724935. https://www.osti.gov/servlets/purl/1724935. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1724935,
title = {Materials Data on Sr2LiMgSi3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSr2MgSi3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to two equivalent Sr, one Mg, and four Si atoms. Both Li–Sr bond lengths are 3.19 Å. The Li–Mg bond length is 2.82 Å. There are a spread of Li–Si bond distances ranging from 2.76–2.86 Å. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Sr–Si bond distances ranging from 3.23–3.36 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to two equivalent Li, three equivalent Mg, and six Si atoms. There are one shorter (3.30 Å) and two longer (3.33 Å) Sr–Mg bond lengths. There are a spread of Sr–Si bond distances ranging from 3.24–3.35 Å. Mg is bonded in a 12-coordinate geometry to one Li, three equivalent Sr, and four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–2.86 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Li, three Sr, and three equivalent Mg atoms. In the second Si site, Si is bonded in a 1-coordinate geometry to six Sr, one Mg, and two equivalent Si atoms. There are one shorter (2.38 Å) and one longer (2.40 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 1-coordinate geometry to one Li, six Sr, and two equivalent Si atoms.},
doi = {10.17188/1724935},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}