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Title: Materials Data on CuIrBr by Materials Project

Abstract

IrCuBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded in a 10-coordinate geometry to four equivalent Cu and six equivalent Br atoms. All Ir–Cu bond lengths are 2.60 Å. All Ir–Br bond lengths are 3.01 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Br atoms. All Cu–Br bond lengths are 2.60 Å. Br is bonded to six equivalent Ir and four equivalent Cu atoms to form a mixture of distorted face and corner-sharing BrCu4Ir6 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631427
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; CuIrBr; Br-Cu-Ir
OSTI Identifier:
1279144
DOI:
10.17188/1279144

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CuIrBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279144.
Persson, Kristin, & Project, Materials. Materials Data on CuIrBr by Materials Project. United States. doi:10.17188/1279144.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CuIrBr by Materials Project". United States. doi:10.17188/1279144. https://www.osti.gov/servlets/purl/1279144. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1279144,
title = {Materials Data on CuIrBr by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {IrCuBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded in a 10-coordinate geometry to four equivalent Cu and six equivalent Br atoms. All Ir–Cu bond lengths are 2.60 Å. All Ir–Br bond lengths are 3.01 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Br atoms. All Cu–Br bond lengths are 2.60 Å. Br is bonded to six equivalent Ir and four equivalent Cu atoms to form a mixture of distorted face and corner-sharing BrCu4Ir6 tetrahedra.},
doi = {10.17188/1279144},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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