U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaZrNi by Materials Project
Abstract
BaZrNi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded to six equivalent Zr and four equivalent Ni atoms to form distorted BaZr6Ni4 tetrahedra that share corners with four equivalent ZrBa6Ni4 tetrahedra, corners with six equivalent BaZr6Ni4 tetrahedra, edges with six equivalent ZrBa6Ni4 tetrahedra, and faces with twelve equivalent BaZr6Ni4 tetrahedra. All Ba–Zr bond lengths are 3.47 Å. All Ba–Ni bond lengths are 3.00 Å. Zr is bonded to six equivalent Ba and four equivalent Ni atoms to form distorted ZrBa6Ni4 tetrahedra that share corners with four equivalent BaZr6Ni4 tetrahedra, corners with six equivalent ZrBa6Ni4 tetrahedra, edges with six equivalent BaZr6Ni4 tetrahedra, and faces with twelve equivalent ZrBa6Ni4 tetrahedra. All Zr–Ni bond lengths are 3.00 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Zr atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-631542
- 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; BaZrNi; Ba-Ni-Zr
- OSTI Identifier:
- 1279231
- DOI:
- https://doi.org/10.17188/1279231
Citation Formats
The Materials Project. Materials Data on BaZrNi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279231.
The Materials Project. Materials Data on BaZrNi by Materials Project. United States. doi:https://doi.org/10.17188/1279231
The Materials Project. 2020.
"Materials Data on BaZrNi by Materials Project". United States. doi:https://doi.org/10.17188/1279231. https://www.osti.gov/servlets/purl/1279231. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279231,
title = {Materials Data on BaZrNi by Materials Project},
author = {The Materials Project},
abstractNote = {BaZrNi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded to six equivalent Zr and four equivalent Ni atoms to form distorted BaZr6Ni4 tetrahedra that share corners with four equivalent ZrBa6Ni4 tetrahedra, corners with six equivalent BaZr6Ni4 tetrahedra, edges with six equivalent ZrBa6Ni4 tetrahedra, and faces with twelve equivalent BaZr6Ni4 tetrahedra. All Ba–Zr bond lengths are 3.47 Å. All Ba–Ni bond lengths are 3.00 Å. Zr is bonded to six equivalent Ba and four equivalent Ni atoms to form distorted ZrBa6Ni4 tetrahedra that share corners with four equivalent BaZr6Ni4 tetrahedra, corners with six equivalent ZrBa6Ni4 tetrahedra, edges with six equivalent BaZr6Ni4 tetrahedra, and faces with twelve equivalent ZrBa6Ni4 tetrahedra. All Zr–Ni bond lengths are 3.00 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Zr atoms.},
doi = {10.17188/1279231},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 00:00:00 EDT 2020},
month = {Fri Jul 24 00:00:00 EDT 2020}
}