skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BaSeO3 by Materials Project

Abstract

BaSeO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.82–3.18 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.73 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+ and one Se4+ atom. In the second O2- site, O2- is bonded to three equivalent Ba2+ and one Se4+ atom to form a mixture of distorted corner and edge-sharing OBa3Se tetrahedra.

Publication Date:
Other Number(s):
mp-6989
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; BaSeO3; Ba-O-Se
OSTI Identifier:
1285449
DOI:
https://doi.org/10.17188/1285449

Citation Formats

The Materials Project. Materials Data on BaSeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285449.
The Materials Project. Materials Data on BaSeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1285449
The Materials Project. 2020. "Materials Data on BaSeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1285449. https://www.osti.gov/servlets/purl/1285449. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1285449,
title = {Materials Data on BaSeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSeO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.82–3.18 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.73 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+ and one Se4+ atom. In the second O2- site, O2- is bonded to three equivalent Ba2+ and one Se4+ atom to form a mixture of distorted corner and edge-sharing OBa3Se tetrahedra.},
doi = {10.17188/1285449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}