U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Ta2W2O13 by Materials Project
Abstract
Li2Ta2W2O13 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 2.04–2.41 Å. Ta is bonded to six O atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 33–52°. There are a spread of Ta–O bond distances ranging from 1.93–2.04 Å. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–40°. There are a spread of W–O bond distances ranging from 1.92–1.96 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ta and one W atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the third O site, O is bonded in a tetrahedral geometry to two equivalent Li and two equivalent Ta atoms. In the fourth O site, Omore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223123
- 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; Li2Ta2W2O13; Li-O-Ta-W
- OSTI Identifier:
- 1662400
- DOI:
- https://doi.org/10.17188/1662400
Citation Formats
The Materials Project. Materials Data on Li2Ta2W2O13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1662400.
The Materials Project. Materials Data on Li2Ta2W2O13 by Materials Project. United States. doi:https://doi.org/10.17188/1662400
The Materials Project. 2020.
"Materials Data on Li2Ta2W2O13 by Materials Project". United States. doi:https://doi.org/10.17188/1662400. https://www.osti.gov/servlets/purl/1662400. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1662400,
title = {Materials Data on Li2Ta2W2O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Ta2W2O13 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 2.04–2.41 Å. Ta is bonded to six O atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 33–52°. There are a spread of Ta–O bond distances ranging from 1.93–2.04 Å. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–40°. There are a spread of W–O bond distances ranging from 1.92–1.96 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ta and one W atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the third O site, O is bonded in a tetrahedral geometry to two equivalent Li and two equivalent Ta atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Li, one Ta, and one W atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two equivalent Ta atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two equivalent Li atoms.},
doi = {10.17188/1662400},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}