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Title: Materials Data on Co5RuO8 by Materials Project

Abstract

RuCo5O8 is Spinel-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ru6+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent CoO4 tetrahedra and edges with six equivalent CoO6 octahedra. All Ru–O bond lengths are 2.00 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent RuO6 octahedra and corners with nine equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 57–60°. There is three shorter (1.97 Å) and one longer (2.00 Å) Co–O bond length. In the second Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO4 tetrahedra, edges with two equivalent RuO6 octahedra, and edges with four equivalent CoO6 octahedra. There are two shorter (1.99 Å) and four longer (2.10 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ru6+ and three Co2+ atoms to form distorted OCo3Ru trigonal pyramids that share corners with three equivalent OCo4 tetrahedra, corners with nine equivalent OCo3Rumore » trigonal pyramids, an edgeedge with one OCo4 tetrahedra, and edges with two equivalent OCo3Ru trigonal pyramids. In the second O2- site, O2- is bonded to four Co2+ atoms to form distorted OCo4 tetrahedra that share corners with three equivalent OCo4 tetrahedra, corners with nine equivalent OCo3Ru trigonal pyramids, and edges with three equivalent OCo3Ru trigonal pyramids.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35690
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; Co5RuO8; Co-O-Ru
OSTI Identifier:
1207031
DOI:
10.17188/1207031

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Co5RuO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207031.
Persson, Kristin, & Project, Materials. Materials Data on Co5RuO8 by Materials Project. United States. doi:10.17188/1207031.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Co5RuO8 by Materials Project". United States. doi:10.17188/1207031. https://www.osti.gov/servlets/purl/1207031. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1207031,
title = {Materials Data on Co5RuO8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RuCo5O8 is Spinel-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ru6+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent CoO4 tetrahedra and edges with six equivalent CoO6 octahedra. All Ru–O bond lengths are 2.00 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent RuO6 octahedra and corners with nine equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 57–60°. There is three shorter (1.97 Å) and one longer (2.00 Å) Co–O bond length. In the second Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO4 tetrahedra, edges with two equivalent RuO6 octahedra, and edges with four equivalent CoO6 octahedra. There are two shorter (1.99 Å) and four longer (2.10 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ru6+ and three Co2+ atoms to form distorted OCo3Ru trigonal pyramids that share corners with three equivalent OCo4 tetrahedra, corners with nine equivalent OCo3Ru trigonal pyramids, an edgeedge with one OCo4 tetrahedra, and edges with two equivalent OCo3Ru trigonal pyramids. In the second O2- site, O2- is bonded to four Co2+ atoms to form distorted OCo4 tetrahedra that share corners with three equivalent OCo4 tetrahedra, corners with nine equivalent OCo3Ru trigonal pyramids, and edges with three equivalent OCo3Ru trigonal pyramids.},
doi = {10.17188/1207031},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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