DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Dy(CuSe)3 by Materials Project

Abstract

Dy(CuSe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Dy3+ is bonded to six equivalent Se2- atoms to form DySe6 octahedra that share corners with twelve equivalent CuSe4 tetrahedra, edges with three equivalent DySe6 octahedra, and edges with six equivalent CuSe4 tetrahedra. There are three shorter (2.87 Å) and three longer (2.88 Å) Dy–Se bond lengths. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent DySe6 octahedra, corners with six equivalent CuSe4 tetrahedra, edges with two equivalent DySe6 octahedra, and edges with three equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–60°. There are a spread of Cu–Se bond distances ranging from 2.42–2.52 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Dy3+ and four equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1225403
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; Dy(CuSe)3; Cu-Dy-Se
OSTI Identifier:
1652932
DOI:
https://doi.org/10.17188/1652932

Citation Formats

The Materials Project. Materials Data on Dy(CuSe)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652932.
The Materials Project. Materials Data on Dy(CuSe)3 by Materials Project. United States. doi:https://doi.org/10.17188/1652932
The Materials Project. 2020. "Materials Data on Dy(CuSe)3 by Materials Project". United States. doi:https://doi.org/10.17188/1652932. https://www.osti.gov/servlets/purl/1652932. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1652932,
title = {Materials Data on Dy(CuSe)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy(CuSe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Dy3+ is bonded to six equivalent Se2- atoms to form DySe6 octahedra that share corners with twelve equivalent CuSe4 tetrahedra, edges with three equivalent DySe6 octahedra, and edges with six equivalent CuSe4 tetrahedra. There are three shorter (2.87 Å) and three longer (2.88 Å) Dy–Se bond lengths. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent DySe6 octahedra, corners with six equivalent CuSe4 tetrahedra, edges with two equivalent DySe6 octahedra, and edges with three equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–60°. There are a spread of Cu–Se bond distances ranging from 2.42–2.52 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Dy3+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1652932},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}