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Title: Materials Data on LiTaWO6 by Materials Project

Abstract

LiTaWO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded in a hexagonal planar geometry to six O2- atoms. There are two shorter (2.61 Å) and four longer (2.66 Å) Li–O bond lengths. Ta5+ is bonded to six O2- 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 39–46°. All Ta–O bond lengths are 1.99 Å. W6+ is bonded to six O2- 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 35–39°. There is four shorter (1.93 Å) and two longer (1.95 Å) W–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ta5+, and one W6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Ta5+ atoms.

Publication Date:
Other Number(s):
mp-774242
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiTaWO6; Li-O-Ta-W
OSTI Identifier:
1302433
DOI:
10.17188/1302433

Citation Formats

The Materials Project. Materials Data on LiTaWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302433.
The Materials Project. Materials Data on LiTaWO6 by Materials Project. United States. doi:10.17188/1302433.
The Materials Project. 2020. "Materials Data on LiTaWO6 by Materials Project". United States. doi:10.17188/1302433. https://www.osti.gov/servlets/purl/1302433. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1302433,
title = {Materials Data on LiTaWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTaWO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded in a hexagonal planar geometry to six O2- atoms. There are two shorter (2.61 Å) and four longer (2.66 Å) Li–O bond lengths. Ta5+ is bonded to six O2- 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 39–46°. All Ta–O bond lengths are 1.99 Å. W6+ is bonded to six O2- 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 35–39°. There is four shorter (1.93 Å) and two longer (1.95 Å) W–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ta5+, and one W6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1302433},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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