U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti3Nb by Materials Project
Abstract
Ti3Nb is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Nb atoms to form TiTi8Nb4 cuboctahedra that share corners with four equivalent NbTi12 cuboctahedra, corners with fourteen equivalent TiTi8Nb4 cuboctahedra, edges with six equivalent NbTi12 cuboctahedra, edges with twelve equivalent TiTi8Nb4 cuboctahedra, faces with four equivalent NbTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Nb4 cuboctahedra. There are two shorter (2.90 Å) and six longer (2.93 Å) Ti–Ti bond lengths. There are two shorter (2.92 Å) and two longer (2.94 Å) Ti–Nb bond lengths. Nb is bonded to twelve equivalent Ti atoms to form NbTi12 cuboctahedra that share corners with six equivalent NbTi12 cuboctahedra, corners with twelve equivalent TiTi8Nb4 cuboctahedra, edges with eighteen equivalent TiTi8Nb4 cuboctahedra, faces with eight equivalent NbTi12 cuboctahedra, and faces with twelve equivalent TiTi8Nb4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1187514
- 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; Nb-Ti; Ti3Nb; crystal structure
- OSTI Identifier:
- 1727173
- DOI:
- https://doi.org/10.17188/1727173
Citation Formats
Materials Data on Ti3Nb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1727173.
Materials Data on Ti3Nb by Materials Project. United States. doi:https://doi.org/10.17188/1727173
2020.
"Materials Data on Ti3Nb by Materials Project". United States. doi:https://doi.org/10.17188/1727173. https://www.osti.gov/servlets/purl/1727173. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1727173,
title = {Materials Data on Ti3Nb by Materials Project},
abstractNote = {Ti3Nb is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Nb atoms to form TiTi8Nb4 cuboctahedra that share corners with four equivalent NbTi12 cuboctahedra, corners with fourteen equivalent TiTi8Nb4 cuboctahedra, edges with six equivalent NbTi12 cuboctahedra, edges with twelve equivalent TiTi8Nb4 cuboctahedra, faces with four equivalent NbTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Nb4 cuboctahedra. There are two shorter (2.90 Å) and six longer (2.93 Å) Ti–Ti bond lengths. There are two shorter (2.92 Å) and two longer (2.94 Å) Ti–Nb bond lengths. Nb is bonded to twelve equivalent Ti atoms to form NbTi12 cuboctahedra that share corners with six equivalent NbTi12 cuboctahedra, corners with twelve equivalent TiTi8Nb4 cuboctahedra, edges with eighteen equivalent TiTi8Nb4 cuboctahedra, faces with eight equivalent NbTi12 cuboctahedra, and faces with twelve equivalent TiTi8Nb4 cuboctahedra.},
doi = {10.17188/1727173},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}