U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiTi(Si2O5)2 by Materials Project
Abstract
LiTi(Si2O5)2 crystallizes in the orthorhombic Pnc2 space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (2.04 Å) Li–O bond length. Ti3+ is bonded to four O2- atoms to form distorted TiO4 trigonal pyramids that share corners with four SiO4 tetrahedra. There is two shorter (1.92 Å) and two longer (1.96 Å) Ti–O bond length. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and a cornercorner with one TiO4 trigonal pyramid. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and a cornercorner with one TiO4 trigonal pyramid. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-867649
- 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; LiTi(Si2O5)2; Li-O-Si-Ti
- OSTI Identifier:
- 1312100
- DOI:
- https://doi.org/10.17188/1312100
Citation Formats
The Materials Project. Materials Data on LiTi(Si2O5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312100.
The Materials Project. Materials Data on LiTi(Si2O5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1312100
The Materials Project. 2020.
"Materials Data on LiTi(Si2O5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1312100. https://www.osti.gov/servlets/purl/1312100. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1312100,
title = {Materials Data on LiTi(Si2O5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTi(Si2O5)2 crystallizes in the orthorhombic Pnc2 space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (2.04 Å) Li–O bond length. Ti3+ is bonded to four O2- atoms to form distorted TiO4 trigonal pyramids that share corners with four SiO4 tetrahedra. There is two shorter (1.92 Å) and two longer (1.96 Å) Ti–O bond length. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and a cornercorner with one TiO4 trigonal pyramid. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and a cornercorner with one TiO4 trigonal pyramid. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Ti3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ti3+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.},
doi = {10.17188/1312100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}