U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiZn2 by Materials Project
Abstract
Zn2Ti is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ti and twelve Zn atoms. There are one shorter (2.99 Å) and three longer (3.13 Å) Ti–Ti bond lengths. There are a spread of Ti–Zn bond distances ranging from 2.95–2.99 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Ti and six equivalent Zn atoms to form a mixture of edge, face, and corner-sharing ZnTi6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.54 Å. In the second Zn site, Zn is bonded to six equivalent Ti and six Zn atoms to form a mixture of edge, face, and corner-sharing ZnTi6Zn6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.62 Å) Zn–Zn bond lengths.
- Publication Date:
- Other Number(s):
- mp-30882
- 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; Ti-Zn; TiZn2; crystal structure
- OSTI Identifier:
- 1205235
- DOI:
- https://doi.org/10.17188/1205235
Citation Formats
Materials Data on TiZn2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205235.
Materials Data on TiZn2 by Materials Project. United States. doi:https://doi.org/10.17188/1205235
2020.
"Materials Data on TiZn2 by Materials Project". United States. doi:https://doi.org/10.17188/1205235. https://www.osti.gov/servlets/purl/1205235. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1205235,
title = {Materials Data on TiZn2 by Materials Project},
abstractNote = {Zn2Ti is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ti and twelve Zn atoms. There are one shorter (2.99 Å) and three longer (3.13 Å) Ti–Ti bond lengths. There are a spread of Ti–Zn bond distances ranging from 2.95–2.99 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Ti and six equivalent Zn atoms to form a mixture of edge, face, and corner-sharing ZnTi6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.54 Å. In the second Zn site, Zn is bonded to six equivalent Ti and six Zn atoms to form a mixture of edge, face, and corner-sharing ZnTi6Zn6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.62 Å) Zn–Zn bond lengths.},
doi = {10.17188/1205235},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}