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Title: Materials Data on Cr2CuSe4 by Materials Project

Abstract

CuCr2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent CuSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.53 Å. Cu2+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–Se bond lengths are 2.39 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3880
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; Cr2CuSe4; Cr-Cu-Se
OSTI Identifier:
1207563
DOI:
10.17188/1207563

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cr2CuSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207563.
Persson, Kristin, & Project, Materials. Materials Data on Cr2CuSe4 by Materials Project. United States. doi:10.17188/1207563.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cr2CuSe4 by Materials Project". United States. doi:10.17188/1207563. https://www.osti.gov/servlets/purl/1207563. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1207563,
title = {Materials Data on Cr2CuSe4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CuCr2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent CuSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.53 Å. Cu2+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–Se bond lengths are 2.39 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu2+ atom.},
doi = {10.17188/1207563},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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