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Title: Materials Data on YbCuSe2 by Materials Project

Abstract

YbCuSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent Se2- atoms to form YbSe6 octahedra that share corners with twelve equivalent CuSe6 octahedra, edges with six equivalent YbSe6 octahedra, and faces with two equivalent CuSe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Yb–Se bond lengths are 2.91 Å. Cu1+ is bonded to six equivalent Se2- atoms to form CuSe6 octahedra that share corners with twelve equivalent YbSe6 octahedra, edges with six equivalent CuSe6 octahedra, and faces with two equivalent YbSe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Cu–Se bond lengths are 2.63 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Yb3+ and three equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1206775
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; YbCuSe2; Cu-Se-Yb
OSTI Identifier:
1689375
DOI:
https://doi.org/10.17188/1689375

Citation Formats

The Materials Project. Materials Data on YbCuSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689375.
The Materials Project. Materials Data on YbCuSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1689375
The Materials Project. 2020. "Materials Data on YbCuSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1689375. https://www.osti.gov/servlets/purl/1689375. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689375,
title = {Materials Data on YbCuSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {YbCuSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent Se2- atoms to form YbSe6 octahedra that share corners with twelve equivalent CuSe6 octahedra, edges with six equivalent YbSe6 octahedra, and faces with two equivalent CuSe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Yb–Se bond lengths are 2.91 Å. Cu1+ is bonded to six equivalent Se2- atoms to form CuSe6 octahedra that share corners with twelve equivalent YbSe6 octahedra, edges with six equivalent CuSe6 octahedra, and faces with two equivalent YbSe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Cu–Se bond lengths are 2.63 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Yb3+ and three equivalent Cu1+ atoms.},
doi = {10.17188/1689375},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}