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Title: Materials Data on CrCuB by Materials Project

Abstract

CrCuB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr2+ is bonded to four equivalent B3- atoms to form CrB4 tetrahedra that share corners with four equivalent CuB4 tetrahedra, corners with twelve equivalent CrB4 tetrahedra, and edges with six equivalent CuB4 tetrahedra. All Cr–B bond lengths are 2.20 Å. Cu1+ is bonded to four equivalent B3- atoms to form distorted CuB4 tetrahedra that share corners with four equivalent CrB4 tetrahedra, corners with twelve equivalent CuB4 tetrahedra, and edges with six equivalent CrB4 tetrahedra. All Cu–B bond lengths are 2.20 Å. B3- is bonded in a body-centered cubic geometry to four equivalent Cr2+ and four equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-1100441
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; CrCuB; B-Cr-Cu
OSTI Identifier:
1729217
DOI:
https://doi.org/10.17188/1729217

Citation Formats

The Materials Project. Materials Data on CrCuB by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729217.
The Materials Project. Materials Data on CrCuB by Materials Project. United States. doi:https://doi.org/10.17188/1729217
The Materials Project. 2020. "Materials Data on CrCuB by Materials Project". United States. doi:https://doi.org/10.17188/1729217. https://www.osti.gov/servlets/purl/1729217. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729217,
title = {Materials Data on CrCuB by Materials Project},
author = {The Materials Project},
abstractNote = {CrCuB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr2+ is bonded to four equivalent B3- atoms to form CrB4 tetrahedra that share corners with four equivalent CuB4 tetrahedra, corners with twelve equivalent CrB4 tetrahedra, and edges with six equivalent CuB4 tetrahedra. All Cr–B bond lengths are 2.20 Å. Cu1+ is bonded to four equivalent B3- atoms to form distorted CuB4 tetrahedra that share corners with four equivalent CrB4 tetrahedra, corners with twelve equivalent CuB4 tetrahedra, and edges with six equivalent CrB4 tetrahedra. All Cu–B bond lengths are 2.20 Å. B3- is bonded in a body-centered cubic geometry to four equivalent Cr2+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1729217},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}