U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiTi2(PO4)3 by Materials Project
Abstract
LiTi2(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.29 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.91 Å) and three longer (2.00 Å) Ti–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 22–42°. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ti4+, and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-18640
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; LiTi2(PO4)3; Li-O-P-Ti
- OSTI Identifier:
- 1193306
- DOI:
- https://doi.org/10.17188/1193306
Citation Formats
The Materials Project. Materials Data on LiTi2(PO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193306.
The Materials Project. Materials Data on LiTi2(PO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1193306
The Materials Project. 2020.
"Materials Data on LiTi2(PO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1193306. https://www.osti.gov/servlets/purl/1193306. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1193306,
title = {Materials Data on LiTi2(PO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTi2(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.29 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.91 Å) and three longer (2.00 Å) Ti–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 22–42°. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ti4+, and one P5+ atom.},
doi = {10.17188/1193306},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}