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Title: Materials Data on Co9Se8 by Materials Project

Abstract

Co9Se8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co+1.78+ sites. In the first Co+1.78+ site, Co+1.78+ is bonded to six equivalent Se2- atoms to form corner-sharing CoSe6 octahedra. All Co–Se bond lengths are 2.44 Å. In the second Co+1.78+ site, Co+1.78+ is bonded to four Se2- atoms to form CoSe4 tetrahedra that share corners with three equivalent CoSe6 octahedra, corners with six equivalent CoSe4 tetrahedra, and edges with three equivalent CoSe4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are one shorter (2.27 Å) and three longer (2.32 Å) Co–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a tetrahedral geometry to four equivalent Co+1.78+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Co+1.78+ atoms.

Publication Date:
Other Number(s):
mp-22745
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; Co9Se8; Co-Se
OSTI Identifier:
1198943
DOI:
10.17188/1198943

Citation Formats

The Materials Project. Materials Data on Co9Se8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198943.
The Materials Project. Materials Data on Co9Se8 by Materials Project. United States. doi:10.17188/1198943.
The Materials Project. 2020. "Materials Data on Co9Se8 by Materials Project". United States. doi:10.17188/1198943. https://www.osti.gov/servlets/purl/1198943. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1198943,
title = {Materials Data on Co9Se8 by Materials Project},
author = {The Materials Project},
abstractNote = {Co9Se8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co+1.78+ sites. In the first Co+1.78+ site, Co+1.78+ is bonded to six equivalent Se2- atoms to form corner-sharing CoSe6 octahedra. All Co–Se bond lengths are 2.44 Å. In the second Co+1.78+ site, Co+1.78+ is bonded to four Se2- atoms to form CoSe4 tetrahedra that share corners with three equivalent CoSe6 octahedra, corners with six equivalent CoSe4 tetrahedra, and edges with three equivalent CoSe4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are one shorter (2.27 Å) and three longer (2.32 Å) Co–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a tetrahedral geometry to four equivalent Co+1.78+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Co+1.78+ atoms.},
doi = {10.17188/1198943},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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