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Title: Materials Data on TiCuB by Materials Project

Abstract

TiCuB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti2+ is bonded to four equivalent B3- atoms to form TiB4 tetrahedra that share corners with four equivalent CuB4 tetrahedra, corners with twelve equivalent TiB4 tetrahedra, and edges with six equivalent CuB4 tetrahedra. All Ti–B bond lengths are 2.27 Å. Cu1+ is bonded to four equivalent B3- atoms to form distorted CuB4 tetrahedra that share corners with four equivalent TiB4 tetrahedra, corners with twelve equivalent CuB4 tetrahedra, and edges with six equivalent TiB4 tetrahedra. All Cu–B bond lengths are 2.27 Å. B3- is bonded in a body-centered cubic geometry to four equivalent Ti2+ and four equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1100413
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TiCuB; B-Cu-Ti
OSTI Identifier:
1738555
DOI:
https://doi.org/10.17188/1738555

Citation Formats

The Materials Project. Materials Data on TiCuB by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738555.
The Materials Project. Materials Data on TiCuB by Materials Project. United States. doi:https://doi.org/10.17188/1738555
The Materials Project. 2020. "Materials Data on TiCuB by Materials Project". United States. doi:https://doi.org/10.17188/1738555. https://www.osti.gov/servlets/purl/1738555. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738555,
title = {Materials Data on TiCuB by Materials Project},
author = {The Materials Project},
abstractNote = {TiCuB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti2+ is bonded to four equivalent B3- atoms to form TiB4 tetrahedra that share corners with four equivalent CuB4 tetrahedra, corners with twelve equivalent TiB4 tetrahedra, and edges with six equivalent CuB4 tetrahedra. All Ti–B bond lengths are 2.27 Å. Cu1+ is bonded to four equivalent B3- atoms to form distorted CuB4 tetrahedra that share corners with four equivalent TiB4 tetrahedra, corners with twelve equivalent CuB4 tetrahedra, and edges with six equivalent TiB4 tetrahedra. All Cu–B bond lengths are 2.27 Å. B3- is bonded in a body-centered cubic geometry to four equivalent Ti2+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1738555},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}