U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiNbWO6 by Materials Project
Abstract
LiNbWO6 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 (2.59 Å) and four longer (2.65 Å) Li–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 40–48°. There are four shorter (2.00 Å) and two longer (2.01 Å) Nb–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–40°. 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 Nb5+, 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 Nb5+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1222548
- 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; LiNbWO6; Li-Nb-O-W
- OSTI Identifier:
- 1747833
- DOI:
- https://doi.org/10.17188/1747833
Citation Formats
The Materials Project. Materials Data on LiNbWO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1747833.
The Materials Project. Materials Data on LiNbWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1747833
The Materials Project. 2020.
"Materials Data on LiNbWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1747833. https://www.osti.gov/servlets/purl/1747833. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1747833,
title = {Materials Data on LiNbWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiNbWO6 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 (2.59 Å) and four longer (2.65 Å) Li–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 40–48°. There are four shorter (2.00 Å) and two longer (2.01 Å) Nb–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–40°. 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 Nb5+, 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 Nb5+ atoms.},
doi = {10.17188/1747833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}