U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1100413
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-Cu-Ti; TiCuB; crystal structure
- OSTI Identifier:
- 1738555
- DOI:
- https://doi.org/10.17188/1738555
Citation Formats
Materials Data on TiCuB by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738555.
Materials Data on TiCuB by Materials Project. United States. doi:https://doi.org/10.17188/1738555
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},
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}
}