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Title: Materials Data on LiCa3RuO6 by Materials Project

Abstract

Ca3LiRuO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 pentagonal pyramids that share faces with two equivalent RuO6 octahedra. All Li–O bond lengths are 2.24 Å. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.76 Å. Ru5+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share faces with two equivalent LiO6 pentagonal pyramids. All Ru–O bond lengths are 1.98 Å. O2- is bonded in a 6-coordinate geometry to one Li1+, four equivalent Ca2+, and one Ru5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-6342
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; LiCa3RuO6; Ca-Li-O-Ru
OSTI Identifier:
1279455
DOI:
10.17188/1279455

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiCa3RuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279455.
Persson, Kristin, & Project, Materials. Materials Data on LiCa3RuO6 by Materials Project. United States. doi:10.17188/1279455.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiCa3RuO6 by Materials Project". United States. doi:10.17188/1279455. https://www.osti.gov/servlets/purl/1279455. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1279455,
title = {Materials Data on LiCa3RuO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ca3LiRuO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 pentagonal pyramids that share faces with two equivalent RuO6 octahedra. All Li–O bond lengths are 2.24 Å. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.76 Å. Ru5+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share faces with two equivalent LiO6 pentagonal pyramids. All Ru–O bond lengths are 1.98 Å. O2- is bonded in a 6-coordinate geometry to one Li1+, four equivalent Ca2+, and one Ru5+ atom.},
doi = {10.17188/1279455},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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