Materials Data on LiTi8O13 by Materials Project
Abstract
LiTi8O13 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.76 Å. There are two inequivalent Ti+3.12+ sites. In the first Ti+3.12+ site, Ti+3.12+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–14°. There are a spread of Ti–O bond distances ranging from 1.95–2.13 Å. In the second Ti+3.12+ site, Ti+3.12+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are three shorter (1.91 Å) and three longer (2.12 Å) Ti–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an octahedral geometry to six equivalent Ti+3.12+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Ti+3.12+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+ and three Ti+3.12+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-755797
- 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; LiTi8O13; Li-O-Ti
- OSTI Identifier:
- 1290227
- DOI:
- https://doi.org/10.17188/1290227
Citation Formats
The Materials Project. Materials Data on LiTi8O13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290227.
The Materials Project. Materials Data on LiTi8O13 by Materials Project. United States. doi:https://doi.org/10.17188/1290227
The Materials Project. 2020.
"Materials Data on LiTi8O13 by Materials Project". United States. doi:https://doi.org/10.17188/1290227. https://www.osti.gov/servlets/purl/1290227. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290227,
title = {Materials Data on LiTi8O13 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTi8O13 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.76 Å. There are two inequivalent Ti+3.12+ sites. In the first Ti+3.12+ site, Ti+3.12+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–14°. There are a spread of Ti–O bond distances ranging from 1.95–2.13 Å. In the second Ti+3.12+ site, Ti+3.12+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are three shorter (1.91 Å) and three longer (2.12 Å) Ti–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an octahedral geometry to six equivalent Ti+3.12+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Ti+3.12+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+ and three Ti+3.12+ atoms.},
doi = {10.17188/1290227},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}