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Title: Materials Data on CsYbCoSe3 by Materials Project

Abstract

CsYbCoSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.69–4.17 Å. Yb3+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with two equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with four equivalent CoSe4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. There are two shorter (2.91 Å) and four longer (2.93 Å) Yb–Se bond lengths. Co2+ is bonded to four Se2- atoms to form CoSe4 tetrahedra that share corners with two equivalent CoSe4 tetrahedra and edges with four equivalent YbSe6 octahedra. There are two shorter (2.32 Å) and two longer (2.48 Å) Co–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Yb3+, and two equivalent Co2+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent Yb3+, and one Co2+ atom.

Publication Date:
Other Number(s):
mp-542948
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; CsYbCoSe3; Co-Cs-Se-Yb
OSTI Identifier:
1266801
DOI:
10.17188/1266801

Citation Formats

The Materials Project. Materials Data on CsYbCoSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266801.
The Materials Project. Materials Data on CsYbCoSe3 by Materials Project. United States. doi:10.17188/1266801.
The Materials Project. 2020. "Materials Data on CsYbCoSe3 by Materials Project". United States. doi:10.17188/1266801. https://www.osti.gov/servlets/purl/1266801. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266801,
title = {Materials Data on CsYbCoSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsYbCoSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.69–4.17 Å. Yb3+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with two equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with four equivalent CoSe4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. There are two shorter (2.91 Å) and four longer (2.93 Å) Yb–Se bond lengths. Co2+ is bonded to four Se2- atoms to form CoSe4 tetrahedra that share corners with two equivalent CoSe4 tetrahedra and edges with four equivalent YbSe6 octahedra. There are two shorter (2.32 Å) and two longer (2.48 Å) Co–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Yb3+, and two equivalent Co2+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent Yb3+, and one Co2+ atom.},
doi = {10.17188/1266801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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