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Title: Materials Data on Sm2CoRuO6 by Materials Project

Abstract

Sm2RuCoO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.75 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are two shorter (2.02 Å) and four longer (2.04 Å) Ru–O bond lengths. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are two shorter (2.05 Å) and four longer (2.11 Å) Co–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+, one Ru4+, and one Co2+ atom to form distorted corner-sharing OSm2CoRu trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Co2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Co2+ atom.

Publication Date:
Other Number(s):
mp-1208928
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; Sm2CoRuO6; Co-O-Ru-Sm
OSTI Identifier:
1706835
DOI:
https://doi.org/10.17188/1706835

Citation Formats

The Materials Project. Materials Data on Sm2CoRuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706835.
The Materials Project. Materials Data on Sm2CoRuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1706835
The Materials Project. 2020. "Materials Data on Sm2CoRuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1706835. https://www.osti.gov/servlets/purl/1706835. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1706835,
title = {Materials Data on Sm2CoRuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2RuCoO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.75 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are two shorter (2.02 Å) and four longer (2.04 Å) Ru–O bond lengths. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are two shorter (2.05 Å) and four longer (2.11 Å) Co–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+, one Ru4+, and one Co2+ atom to form distorted corner-sharing OSm2CoRu trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Co2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Co2+ atom.},
doi = {10.17188/1706835},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}