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Title: Materials Data on SrSi6 by Materials Project

Abstract

SrSi6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to eighteen Si atoms. There are a spread of Sr–Si bond distances ranging from 3.17–3.55 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Sr and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.39–2.45 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to three equivalent Sr and four Si atoms. There are one shorter (2.42 Å) and one longer (2.43 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 7-coordinate geometry to three equivalent Sr and four Si atoms. Both Si–Si bond lengths are 2.41 Å.

Authors:
Publication Date:
Other Number(s):
mp-1009
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; SrSi6; Si-Sr
OSTI Identifier:
1185110
DOI:
10.17188/1185110

Citation Formats

Persson, Kristin. Materials Data on SrSi6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1185110.
Persson, Kristin. Materials Data on SrSi6 by Materials Project. United States. doi:10.17188/1185110.
Persson, Kristin. 2020. "Materials Data on SrSi6 by Materials Project". United States. doi:10.17188/1185110. https://www.osti.gov/servlets/purl/1185110. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1185110,
title = {Materials Data on SrSi6 by Materials Project},
author = {Persson, Kristin},
abstractNote = {SrSi6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to eighteen Si atoms. There are a spread of Sr–Si bond distances ranging from 3.17–3.55 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Sr and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.39–2.45 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to three equivalent Sr and four Si atoms. There are one shorter (2.42 Å) and one longer (2.43 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 7-coordinate geometry to three equivalent Sr and four Si atoms. Both Si–Si bond lengths are 2.41 Å.},
doi = {10.17188/1185110},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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