U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Ta2O3 by Materials Project
Abstract
Li2Ta2O3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 2.04–2.37 Å. In the second Li site, Li is bonded in a bent 120 degrees geometry to two O atoms. There are one shorter (1.99 Å) and one longer (2.01 Å) Li–O bond lengths. In the third Li site, Li is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Li–O bond distances ranging from 2.02–2.27 Å. In the fourth Li site, Li is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Li–O bond distances ranging from 2.03–2.37 Å. There are four inequivalent Ta sites. In the first Ta site, Ta is bonded in a T-shaped geometry to three O atoms. There are a spread of Ta–O bond distances ranging from 1.97–2.03 Å. In the second Ta site, Ta is bonded in a T-shaped geometry to three O atoms. There are a spread of Ta–O bond distances ranging from 1.95–2.01 Å. In the third Tamore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-675379
- 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; Li2Ta2O3; Li-O-Ta
- OSTI Identifier:
- 1282682
- DOI:
- https://doi.org/10.17188/1282682
Citation Formats
The Materials Project. Materials Data on Li2Ta2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282682.
The Materials Project. Materials Data on Li2Ta2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1282682
The Materials Project. 2020.
"Materials Data on Li2Ta2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1282682. https://www.osti.gov/servlets/purl/1282682. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1282682,
title = {Materials Data on Li2Ta2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Ta2O3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 2.04–2.37 Å. In the second Li site, Li is bonded in a bent 120 degrees geometry to two O atoms. There are one shorter (1.99 Å) and one longer (2.01 Å) Li–O bond lengths. In the third Li site, Li is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Li–O bond distances ranging from 2.02–2.27 Å. In the fourth Li site, Li is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Li–O bond distances ranging from 2.03–2.37 Å. There are four inequivalent Ta sites. In the first Ta site, Ta is bonded in a T-shaped geometry to three O atoms. There are a spread of Ta–O bond distances ranging from 1.97–2.03 Å. In the second Ta site, Ta is bonded in a T-shaped geometry to three O atoms. There are a spread of Ta–O bond distances ranging from 1.95–2.01 Å. In the third Ta site, Ta is bonded in a T-shaped geometry to three O atoms. There are a spread of Ta–O bond distances ranging from 1.94–2.02 Å. In the fourth Ta site, Ta is bonded in a T-shaped geometry to three O atoms. There are a spread of Ta–O bond distances ranging from 1.98–2.03 Å. There are six inequivalent O sites. In the first O site, O is bonded in a rectangular see-saw-like geometry to two Li and two Ta atoms. In the second O site, O is bonded to two Li and two Ta atoms to form corner-sharing OLi2Ta2 trigonal pyramids. In the third O site, O is bonded to two Li and two Ta atoms to form corner-sharing OLi2Ta2 trigonal pyramids. In the fourth O site, O is bonded to two Li and two Ta atoms to form distorted corner-sharing OLi2Ta2 trigonal pyramids. In the fifth O site, O is bonded in a rectangular see-saw-like geometry to two Li and two Ta atoms. In the sixth O site, O is bonded in a 4-coordinate geometry to two Li and two Ta atoms.},
doi = {10.17188/1282682},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}