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Title: Materials Data on SmBO3 by Materials Project

Abstract

SmBO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.85 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.40 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sm3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and one B3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1173486
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; SmBO3; B-O-Sm
OSTI Identifier:
1672231
DOI:
10.17188/1672231

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SmBO3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672231.
Persson, Kristin, & Project, Materials. Materials Data on SmBO3 by Materials Project. United States. doi:10.17188/1672231.
Persson, Kristin, and Project, Materials. 2019. "Materials Data on SmBO3 by Materials Project". United States. doi:10.17188/1672231. https://www.osti.gov/servlets/purl/1672231. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1672231,
title = {Materials Data on SmBO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SmBO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.85 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.40 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sm3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and one B3+ atom.},
doi = {10.17188/1672231},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

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