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Title: Materials Data on SrSeO3 by Materials Project

Abstract

SrSeO3 is Potassium chlorate-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.66–3.10 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.73 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sr2+ and one Se4+ atom to form a mixture of distorted edge and corner-sharing OSr3Se tetrahedra. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Sr2+ and one Se4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-555098
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; SrSeO3; O-Se-Sr
OSTI Identifier:
1268630
DOI:
10.17188/1268630

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SrSeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268630.
Persson, Kristin, & Project, Materials. Materials Data on SrSeO3 by Materials Project. United States. doi:10.17188/1268630.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SrSeO3 by Materials Project". United States. doi:10.17188/1268630. https://www.osti.gov/servlets/purl/1268630. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1268630,
title = {Materials Data on SrSeO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SrSeO3 is Potassium chlorate-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.66–3.10 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.73 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sr2+ and one Se4+ atom to form a mixture of distorted edge and corner-sharing OSr3Se tetrahedra. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Sr2+ and one Se4+ atom.},
doi = {10.17188/1268630},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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