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

Abstract

Y(CuSe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Se2- atoms to form YSe6 octahedra that share corners with twelve equivalent CuSe4 tetrahedra, edges with three equivalent YSe6 octahedra, and edges with six equivalent CuSe4 tetrahedra. All Y–Se bond lengths are 2.88 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent YSe6 octahedra, corners with six equivalent CuSe4 tetrahedra, edges with two equivalent YSe6 octahedra, and edges with three equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–57°. There are one shorter (2.45 Å) and three longer (2.51 Å) Cu–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to two equivalent Y3+ and four equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-1216202
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; Y(CuSe)3; Cu-Se-Y
OSTI Identifier:
1687969
DOI:
https://doi.org/10.17188/1687969

Citation Formats

The Materials Project. Materials Data on Y(CuSe)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687969.
The Materials Project. Materials Data on Y(CuSe)3 by Materials Project. United States. doi:https://doi.org/10.17188/1687969
The Materials Project. 2020. "Materials Data on Y(CuSe)3 by Materials Project". United States. doi:https://doi.org/10.17188/1687969. https://www.osti.gov/servlets/purl/1687969. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1687969,
title = {Materials Data on Y(CuSe)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(CuSe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Se2- atoms to form YSe6 octahedra that share corners with twelve equivalent CuSe4 tetrahedra, edges with three equivalent YSe6 octahedra, and edges with six equivalent CuSe4 tetrahedra. All Y–Se bond lengths are 2.88 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent YSe6 octahedra, corners with six equivalent CuSe4 tetrahedra, edges with two equivalent YSe6 octahedra, and edges with three equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–57°. There are one shorter (2.45 Å) and three longer (2.51 Å) Cu–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to two equivalent Y3+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1687969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}