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Title: Materials Data on Sr3SiO5 by Materials Project

Abstract

Sr3SiO5 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–2.97 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.63 Å. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to six Sr2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Si4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5487
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; Sr3SiO5; O-Si-Sr
OSTI Identifier:
1267361
DOI:
10.17188/1267361

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr3SiO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267361.
Persson, Kristin, & Project, Materials. Materials Data on Sr3SiO5 by Materials Project. United States. doi:10.17188/1267361.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr3SiO5 by Materials Project". United States. doi:10.17188/1267361. https://www.osti.gov/servlets/purl/1267361. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1267361,
title = {Materials Data on Sr3SiO5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr3SiO5 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–2.97 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.63 Å. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to six Sr2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Si4+ atom.},
doi = {10.17188/1267361},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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