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Title: Materials Data on LiSm2RuO6 by Materials Project

Abstract

Sm2LiRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 34–35°. There are a spread of Li–O bond distances ranging from 2.07–2.17 Å. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.31–2.72 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 34–35°. There are a spread of Ru–O bond distances ranging from 1.97–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Sm3+, and one Ru5+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Sm3+, and one Ru5+ atom to form distorted corner-sharing OLiSm2Ru trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Sm3+, and one Ru5+ atom.

Publication Date:
Other Number(s):
mp-1210954
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; LiSm2RuO6; Li-O-Ru-Sm
OSTI Identifier:
1652510
DOI:
https://doi.org/10.17188/1652510

Citation Formats

The Materials Project. Materials Data on LiSm2RuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652510.
The Materials Project. Materials Data on LiSm2RuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1652510
The Materials Project. 2020. "Materials Data on LiSm2RuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1652510. https://www.osti.gov/servlets/purl/1652510. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1652510,
title = {Materials Data on LiSm2RuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2LiRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 34–35°. There are a spread of Li–O bond distances ranging from 2.07–2.17 Å. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.31–2.72 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 34–35°. There are a spread of Ru–O bond distances ranging from 1.97–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Sm3+, and one Ru5+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Sm3+, and one Ru5+ atom to form distorted corner-sharing OLiSm2Ru trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Sm3+, and one Ru5+ atom.},
doi = {10.17188/1652510},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}