U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TlCuIr by Materials Project
Abstract
IrCuTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Tl atoms. All Ir–Cu bond lengths are 2.68 Å. All Ir–Tl bond lengths are 2.68 Å. Cu is bonded to four equivalent Ir and six equivalent Tl atoms to form distorted CuTl6Ir4 tetrahedra that share corners with four equivalent TlCu6Ir4 tetrahedra, corners with six equivalent CuTl6Ir4 tetrahedra, edges with six equivalent TlCu6Ir4 tetrahedra, and faces with twelve equivalent CuTl6Ir4 tetrahedra. All Cu–Tl bond lengths are 3.10 Å. Tl is bonded to four equivalent Ir and six equivalent Cu atoms to form distorted TlCu6Ir4 tetrahedra that share corners with four equivalent CuTl6Ir4 tetrahedra, corners with six equivalent TlCu6Ir4 tetrahedra, edges with six equivalent CuTl6Ir4 tetrahedra, and faces with twelve equivalent TlCu6Ir4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-631371
- 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; Cu-Ir-Tl; TlCuIr; crystal structure
- OSTI Identifier:
- 1279102
- DOI:
- https://doi.org/10.17188/1279102
Citation Formats
Materials Data on TlCuIr by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279102.
Materials Data on TlCuIr by Materials Project. United States. doi:https://doi.org/10.17188/1279102
2020.
"Materials Data on TlCuIr by Materials Project". United States. doi:https://doi.org/10.17188/1279102. https://www.osti.gov/servlets/purl/1279102. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1279102,
title = {Materials Data on TlCuIr by Materials Project},
abstractNote = {IrCuTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Tl atoms. All Ir–Cu bond lengths are 2.68 Å. All Ir–Tl bond lengths are 2.68 Å. Cu is bonded to four equivalent Ir and six equivalent Tl atoms to form distorted CuTl6Ir4 tetrahedra that share corners with four equivalent TlCu6Ir4 tetrahedra, corners with six equivalent CuTl6Ir4 tetrahedra, edges with six equivalent TlCu6Ir4 tetrahedra, and faces with twelve equivalent CuTl6Ir4 tetrahedra. All Cu–Tl bond lengths are 3.10 Å. Tl is bonded to four equivalent Ir and six equivalent Cu atoms to form distorted TlCu6Ir4 tetrahedra that share corners with four equivalent CuTl6Ir4 tetrahedra, corners with six equivalent TlCu6Ir4 tetrahedra, edges with six equivalent CuTl6Ir4 tetrahedra, and faces with twelve equivalent TlCu6Ir4 tetrahedra.},
doi = {10.17188/1279102},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}