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}
}