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Title: Materials Data on SrRuO3 by Materials Project

Abstract

SrRuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All Sr–O bond lengths are 2.82 Å. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.99 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Ru4+ atoms to form a mixture of distorted face, edge, and corner-sharing OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4346
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; SrRuO3; O-Ru-Sr
OSTI Identifier:
1208087
DOI:
10.17188/1208087

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SrRuO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208087.
Persson, Kristin, & Project, Materials. Materials Data on SrRuO3 by Materials Project. United States. doi:10.17188/1208087.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SrRuO3 by Materials Project". United States. doi:10.17188/1208087. https://www.osti.gov/servlets/purl/1208087. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1208087,
title = {Materials Data on SrRuO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SrRuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All Sr–O bond lengths are 2.82 Å. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.99 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Ru4+ atoms to form a mixture of distorted face, edge, and corner-sharing OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1208087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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