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Title: Materials Data on Sr3(CoO3)2 by Materials Project

Abstract

Sr3Co2O6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.69 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six equivalent O2- atoms to form face-sharing CoO6 octahedra. All Co–O bond lengths are 1.96 Å. In the second Co3+ site, Co3+ is bonded to six equivalent O2- atoms to form distorted face-sharing CoO6 pentagonal pyramids. All Co–O bond lengths are 2.08 Å. O2- is bonded to four equivalent Sr2+ and two Co3+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–64°.

Authors:
Publication Date:
Other Number(s):
mp-1192011
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; Sr3(CoO3)2; Co-O-Sr
OSTI Identifier:
1721970
DOI:
https://doi.org/10.17188/1721970

Citation Formats

The Materials Project. Materials Data on Sr3(CoO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1721970.
The Materials Project. Materials Data on Sr3(CoO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1721970
The Materials Project. 2020. "Materials Data on Sr3(CoO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1721970. https://www.osti.gov/servlets/purl/1721970. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1721970,
title = {Materials Data on Sr3(CoO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3Co2O6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.69 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six equivalent O2- atoms to form face-sharing CoO6 octahedra. All Co–O bond lengths are 1.96 Å. In the second Co3+ site, Co3+ is bonded to six equivalent O2- atoms to form distorted face-sharing CoO6 pentagonal pyramids. All Co–O bond lengths are 2.08 Å. O2- is bonded to four equivalent Sr2+ and two Co3+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–64°.},
doi = {10.17188/1721970},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}