U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CrNiSb by Materials Project
Abstract
NiCrSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Sb3- atoms to form distorted CrSb6 octahedra that share corners with six equivalent CrSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, edges with twelve equivalent CrSb6 octahedra, and faces with four equivalent NiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–Sb bond lengths are 2.95 Å. Ni1+ is bonded to four equivalent Sb3- atoms to form NiSb4 tetrahedra that share corners with twelve equivalent CrSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, and faces with four equivalent CrSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ni–Sb bond lengths are 2.56 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Cr2+ and four equivalent Ni1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1018161
- 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; Cr-Ni-Sb; CrNiSb; crystal structure
- OSTI Identifier:
- 1350180
- DOI:
- https://doi.org/10.17188/1350180
Citation Formats
Materials Data on CrNiSb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350180.
Materials Data on CrNiSb by Materials Project. United States. doi:https://doi.org/10.17188/1350180
2020.
"Materials Data on CrNiSb by Materials Project". United States. doi:https://doi.org/10.17188/1350180. https://www.osti.gov/servlets/purl/1350180. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1350180,
title = {Materials Data on CrNiSb by Materials Project},
abstractNote = {NiCrSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Sb3- atoms to form distorted CrSb6 octahedra that share corners with six equivalent CrSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, edges with twelve equivalent CrSb6 octahedra, and faces with four equivalent NiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–Sb bond lengths are 2.95 Å. Ni1+ is bonded to four equivalent Sb3- atoms to form NiSb4 tetrahedra that share corners with twelve equivalent CrSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, and faces with four equivalent CrSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ni–Sb bond lengths are 2.56 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Cr2+ and four equivalent Ni1+ atoms.},
doi = {10.17188/1350180},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}