U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiCr2 by Materials Project
Abstract
TiCr2 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 Cr atoms. There are three shorter (2.97 Å) and one longer (2.98 Å) Ti–Ti bond lengths. There are three shorter (2.81 Å) and nine longer (2.86 Å) Ti–Cr bond lengths. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded to six equivalent Ti and six equivalent Cr atoms to form a mixture of edge, corner, and face-sharing CrTi6Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.44 Å. In the second Cr site, Cr is bonded to six equivalent Ti and six Cr atoms to form a mixture of edge, corner, and face-sharing CrTi6Cr6 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.49 Å) Cr–Cr bond lengths.
- Publication Date:
- Other Number(s):
- mp-1589
- 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-Ti; TiCr2; crystal structure
- OSTI Identifier:
- 1191431
- DOI:
- https://doi.org/10.17188/1191431
Citation Formats
Materials Data on TiCr2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191431.
Materials Data on TiCr2 by Materials Project. United States. doi:https://doi.org/10.17188/1191431
2020.
"Materials Data on TiCr2 by Materials Project". United States. doi:https://doi.org/10.17188/1191431. https://www.osti.gov/servlets/purl/1191431. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191431,
title = {Materials Data on TiCr2 by Materials Project},
abstractNote = {TiCr2 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 Cr atoms. There are three shorter (2.97 Å) and one longer (2.98 Å) Ti–Ti bond lengths. There are three shorter (2.81 Å) and nine longer (2.86 Å) Ti–Cr bond lengths. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded to six equivalent Ti and six equivalent Cr atoms to form a mixture of edge, corner, and face-sharing CrTi6Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.44 Å. In the second Cr site, Cr is bonded to six equivalent Ti and six Cr atoms to form a mixture of edge, corner, and face-sharing CrTi6Cr6 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.49 Å) Cr–Cr bond lengths.},
doi = {10.17188/1191431},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}