U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3Ti2(PO4)3 by Materials Project
Abstract
Li3Ti2(PO4)3 is Esseneite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.34 Å) and four longer (2.52 Å) Li–O bond lengths. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Ti–O bond lengths are 2.04 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 45°. All P–O bond lengths are 1.56 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Ti3+, and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-757914
- 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-P-Ti; Li3Ti2(PO4)3; crystal structure
- OSTI Identifier:
- 1290937
- DOI:
- https://doi.org/10.17188/1290937
Citation Formats
Materials Data on Li3Ti2(PO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290937.
Materials Data on Li3Ti2(PO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1290937
2020.
"Materials Data on Li3Ti2(PO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1290937. https://www.osti.gov/servlets/purl/1290937. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290937,
title = {Materials Data on Li3Ti2(PO4)3 by Materials Project},
abstractNote = {Li3Ti2(PO4)3 is Esseneite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.34 Å) and four longer (2.52 Å) Li–O bond lengths. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Ti–O bond lengths are 2.04 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 45°. All P–O bond lengths are 1.56 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Ti3+, and one P5+ atom.},
doi = {10.17188/1290937},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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