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Title: Materials Data on Sr3ScRhO6 by Materials Project

Abstract

Sr3ScRhO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.73 Å. Sc3+ is bonded to six equivalent O2- atoms to form distorted ScO6 pentagonal pyramids that share faces with two equivalent RhO6 octahedra. All Sc–O bond lengths are 2.17 Å. Rh3+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share faces with two equivalent ScO6 pentagonal pyramids. All Rh–O bond lengths are 2.09 Å. O2- is bonded to four equivalent Sr2+, one Sc3+, and one Rh3+ atom to form a mixture of distorted edge, corner, and face-sharing OSr4ScRh octahedra. The corner-sharing octahedra tilt angles range from 0–67°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-18247
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; Sr3ScRhO6; O-Rh-Sc-Sr
OSTI Identifier:
1193007
DOI:
10.17188/1193007

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr3ScRhO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193007.
Persson, Kristin, & Project, Materials. Materials Data on Sr3ScRhO6 by Materials Project. United States. doi:10.17188/1193007.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr3ScRhO6 by Materials Project". United States. doi:10.17188/1193007. https://www.osti.gov/servlets/purl/1193007. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1193007,
title = {Materials Data on Sr3ScRhO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr3ScRhO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.73 Å. Sc3+ is bonded to six equivalent O2- atoms to form distorted ScO6 pentagonal pyramids that share faces with two equivalent RhO6 octahedra. All Sc–O bond lengths are 2.17 Å. Rh3+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share faces with two equivalent ScO6 pentagonal pyramids. All Rh–O bond lengths are 2.09 Å. O2- is bonded to four equivalent Sr2+, one Sc3+, and one Rh3+ atom to form a mixture of distorted edge, corner, and face-sharing OSr4ScRh octahedra. The corner-sharing octahedra tilt angles range from 0–67°.},
doi = {10.17188/1193007},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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