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Title: Materials Data on Sr3SiO5 by Materials Project

Abstract

Sr3SiO5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are two shorter (2.73 Å) and eight longer (2.89 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.81 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 to six Sr2+ atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Sr2+ and one Si4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-979932
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; Sr3SiO5; O-Si-Sr
OSTI Identifier:
1316168
DOI:
https://doi.org/10.17188/1316168

Citation Formats

The Materials Project. Materials Data on Sr3SiO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316168.
The Materials Project. Materials Data on Sr3SiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1316168
The Materials Project. 2020. "Materials Data on Sr3SiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1316168. https://www.osti.gov/servlets/purl/1316168. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1316168,
title = {Materials Data on Sr3SiO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3SiO5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are two shorter (2.73 Å) and eight longer (2.89 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.81 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 to six Sr2+ atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Sr2+ and one Si4+ atom.},
doi = {10.17188/1316168},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}