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Title: Materials Data on Sr6(CoO3)5 by Materials Project

Abstract

Sr6Co5O15 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.68 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.87 Å. There are three inequivalent Co+3.60+ sites. In the first Co+3.60+ site, Co+3.60+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.89 Å) and three longer (1.96 Å) Co–O bond length. In the second Co+3.60+ site, Co+3.60+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.91 Å) and three longer (1.92 Å) Co–O bond length. In the third Co+3.60+ site, Co+3.60+ is bonded to six equivalent O2- atoms to form distorted face-sharing CoO6 pentagonal pyramids. All Co–O bond lengths are 1.91 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Co+3.60+ atoms. In the second O2- site, O2-more » is bonded in a 6-coordinate geometry to four Sr2+ and two Co+3.60+ atoms. In the third O2- site, O2- is bonded to four Sr2+ and two equivalent Co+3.60+ atoms to form a mixture of distorted corner and face-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles are 26°.« less

Publication Date:
Other Number(s):
mp-19235
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; Sr6(CoO3)5; Co-O-Sr
OSTI Identifier:
1194094
DOI:
https://doi.org/10.17188/1194094

Citation Formats

The Materials Project. Materials Data on Sr6(CoO3)5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194094.
The Materials Project. Materials Data on Sr6(CoO3)5 by Materials Project. United States. doi:https://doi.org/10.17188/1194094
The Materials Project. 2020. "Materials Data on Sr6(CoO3)5 by Materials Project". United States. doi:https://doi.org/10.17188/1194094. https://www.osti.gov/servlets/purl/1194094. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1194094,
title = {Materials Data on Sr6(CoO3)5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr6Co5O15 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.68 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.87 Å. There are three inequivalent Co+3.60+ sites. In the first Co+3.60+ site, Co+3.60+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.89 Å) and three longer (1.96 Å) Co–O bond length. In the second Co+3.60+ site, Co+3.60+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.91 Å) and three longer (1.92 Å) Co–O bond length. In the third Co+3.60+ site, Co+3.60+ is bonded to six equivalent O2- atoms to form distorted face-sharing CoO6 pentagonal pyramids. All Co–O bond lengths are 1.91 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Co+3.60+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Co+3.60+ atoms. In the third O2- site, O2- is bonded to four Sr2+ and two equivalent Co+3.60+ atoms to form a mixture of distorted corner and face-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles are 26°.},
doi = {10.17188/1194094},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}