U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Ti2O5 by Materials Project
Abstract
Li2Ti2O5 crystallizes in the orthorhombic Ccc2 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with five equivalent TiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.00–2.03 Å. Ti4+ is bonded to four O2- atoms to form TiO4 tetrahedra that share corners with three equivalent TiO4 tetrahedra and corners with five equivalent LiO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.76–1.88 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded to three equivalent Li1+ and one Ti4+ atom to form a mixture of corner and edge-sharing OLi3Ti tetrahedra. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Ti4+ atoms.
- Publication Date:
- Other Number(s):
- mp-756294
- 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; Li-O-Ti; Li2Ti2O5; crystal structure
- OSTI Identifier:
- 1290468
- DOI:
- https://doi.org/10.17188/1290468
Citation Formats
Materials Data on Li2Ti2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290468.
Materials Data on Li2Ti2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1290468
2020.
"Materials Data on Li2Ti2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1290468. https://www.osti.gov/servlets/purl/1290468. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1290468,
title = {Materials Data on Li2Ti2O5 by Materials Project},
abstractNote = {Li2Ti2O5 crystallizes in the orthorhombic Ccc2 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with five equivalent TiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.00–2.03 Å. Ti4+ is bonded to four O2- atoms to form TiO4 tetrahedra that share corners with three equivalent TiO4 tetrahedra and corners with five equivalent LiO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.76–1.88 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded to three equivalent Li1+ and one Ti4+ atom to form a mixture of corner and edge-sharing OLi3Ti tetrahedra. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Ti4+ atoms.},
doi = {10.17188/1290468},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}