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Title: Materials Data on IrPbBr by Materials Project

Abstract

IrPbBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded to four equivalent Pb atoms to form IrPb4 tetrahedra that share corners with four equivalent BrPb4 tetrahedra, corners with twelve equivalent IrPb4 tetrahedra, and edges with six equivalent BrPb4 tetrahedra. All Ir–Pb bond lengths are 2.97 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Br atoms. All Pb–Br bond lengths are 2.97 Å. Br is bonded to four equivalent Pb atoms to form BrPb4 tetrahedra that share corners with four equivalent IrPb4 tetrahedra, corners with twelve equivalent BrPb4 tetrahedra, and edges with six equivalent IrPb4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631478
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; IrPbBr; Br-Ir-Pb
OSTI Identifier:
1279172
DOI:
10.17188/1279172

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on IrPbBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279172.
Persson, Kristin, & Project, Materials. Materials Data on IrPbBr by Materials Project. United States. doi:10.17188/1279172.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on IrPbBr by Materials Project". United States. doi:10.17188/1279172. https://www.osti.gov/servlets/purl/1279172. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279172,
title = {Materials Data on IrPbBr by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {IrPbBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded to four equivalent Pb atoms to form IrPb4 tetrahedra that share corners with four equivalent BrPb4 tetrahedra, corners with twelve equivalent IrPb4 tetrahedra, and edges with six equivalent BrPb4 tetrahedra. All Ir–Pb bond lengths are 2.97 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Br atoms. All Pb–Br bond lengths are 2.97 Å. Br is bonded to four equivalent Pb atoms to form BrPb4 tetrahedra that share corners with four equivalent IrPb4 tetrahedra, corners with twelve equivalent BrPb4 tetrahedra, and edges with six equivalent IrPb4 tetrahedra.},
doi = {10.17188/1279172},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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