U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiPRu by Materials Project
Abstract
TiRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.78 Å) and four longer (2.92 Å) Ti–Ru bond lengths. There are one shorter (2.61 Å) and four longer (2.63 Å) Ti–P bond lengths. Ru is bonded in a 12-coordinate geometry to six equivalent Ti, two equivalent Ru, and four P atoms. Both Ru–Ru bond lengths are 2.72 Å. There are two shorter (2.39 Å) and two longer (2.42 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Ru atoms.
- Publication Date:
- Other Number(s):
- mp-10739
- 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; P-Ru-Ti; TiPRu; crystal structure
- OSTI Identifier:
- 1187325
- DOI:
- https://doi.org/10.17188/1187325
Citation Formats
Materials Data on TiPRu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187325.
Materials Data on TiPRu by Materials Project. United States. doi:https://doi.org/10.17188/1187325
2020.
"Materials Data on TiPRu by Materials Project". United States. doi:https://doi.org/10.17188/1187325. https://www.osti.gov/servlets/purl/1187325. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187325,
title = {Materials Data on TiPRu by Materials Project},
abstractNote = {TiRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.78 Å) and four longer (2.92 Å) Ti–Ru bond lengths. There are one shorter (2.61 Å) and four longer (2.63 Å) Ti–P bond lengths. Ru is bonded in a 12-coordinate geometry to six equivalent Ti, two equivalent Ru, and four P atoms. Both Ru–Ru bond lengths are 2.72 Å. There are two shorter (2.39 Å) and two longer (2.42 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Ru atoms.},
doi = {10.17188/1187325},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}