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Title: Materials Data on SrRuO3 by Materials Project

Abstract

SrRuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.00 Å. Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Ru–O bond distances ranging from 2.01–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and two equivalent Ru4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-22390
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SrRuO3; O-Ru-Sr
OSTI Identifier:
1197607
DOI:
https://doi.org/10.17188/1197607

Citation Formats

The Materials Project. Materials Data on SrRuO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197607.
The Materials Project. Materials Data on SrRuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1197607
The Materials Project. 2020. "Materials Data on SrRuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1197607. https://www.osti.gov/servlets/purl/1197607. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1197607,
title = {Materials Data on SrRuO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrRuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.00 Å. Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Ru–O bond distances ranging from 2.01–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and two equivalent Ru4+ atoms.},
doi = {10.17188/1197607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}