U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiP2 by Materials Project
Abstract
TiP2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti4+ is bonded in a 9-coordinate geometry to nine P2- atoms. There are a spread of Ti–P bond distances ranging from 2.52–2.67 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 7-coordinate geometry to five equivalent Ti4+ and two equivalent P2- atoms. Both P–P bond lengths are 2.59 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Ti4+ and four P2- atoms. Both P–P bond lengths are 2.35 Å.
- Publication Date:
- Other Number(s):
- mp-20327
- 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-Ti; TiP2; crystal structure
- OSTI Identifier:
- 1195449
- DOI:
- https://doi.org/10.17188/1195449
Citation Formats
Materials Data on TiP2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195449.
Materials Data on TiP2 by Materials Project. United States. doi:https://doi.org/10.17188/1195449
2020.
"Materials Data on TiP2 by Materials Project". United States. doi:https://doi.org/10.17188/1195449. https://www.osti.gov/servlets/purl/1195449. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1195449,
title = {Materials Data on TiP2 by Materials Project},
abstractNote = {TiP2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti4+ is bonded in a 9-coordinate geometry to nine P2- atoms. There are a spread of Ti–P bond distances ranging from 2.52–2.67 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 7-coordinate geometry to five equivalent Ti4+ and two equivalent P2- atoms. Both P–P bond lengths are 2.59 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Ti4+ and four P2- atoms. Both P–P bond lengths are 2.35 Å.},
doi = {10.17188/1195449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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