U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2LaNb6O18 by Materials Project
Abstract
(Li)2LaNb6O18 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional and consists of two litio molecules and one LaNb6O18 framework. In the LaNb6O18 framework, La is bonded to twelve O atoms to form LaO12 cuboctahedra that share faces with two equivalent LaO12 cuboctahedra and faces with eight equivalent NbO6 octahedra. There are a spread of La–O bond distances ranging from 2.64–2.75 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded to six O atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–16°. There are a spread of Nb–O bond distances ranging from 1.94–2.07 Å. In the second Nb site, Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of Nb–O bond distances ranging from 1.96–2.04 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent La and twomore »
- Publication Date:
- Other Number(s):
- mp-1210870
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; La-Li-Nb-O; Li2LaNb6O18; crystal structure
- OSTI Identifier:
- 1753108
- DOI:
- https://doi.org/10.17188/1753108
Citation Formats
Materials Data on Li2LaNb6O18 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1753108.
Materials Data on Li2LaNb6O18 by Materials Project. United States. doi:https://doi.org/10.17188/1753108
2020.
"Materials Data on Li2LaNb6O18 by Materials Project". United States. doi:https://doi.org/10.17188/1753108. https://www.osti.gov/servlets/purl/1753108. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753108,
title = {Materials Data on Li2LaNb6O18 by Materials Project},
abstractNote = {(Li)2LaNb6O18 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional and consists of two litio molecules and one LaNb6O18 framework. In the LaNb6O18 framework, La is bonded to twelve O atoms to form LaO12 cuboctahedra that share faces with two equivalent LaO12 cuboctahedra and faces with eight equivalent NbO6 octahedra. There are a spread of La–O bond distances ranging from 2.64–2.75 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded to six O atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–16°. There are a spread of Nb–O bond distances ranging from 1.94–2.07 Å. In the second Nb site, Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of Nb–O bond distances ranging from 1.96–2.04 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent La and two equivalent Nb atoms. In the third O site, O is bonded in a 3-coordinate geometry to one La and two equivalent Nb atoms. In the fourth O site, O is bonded in a linear geometry to two Nb atoms. In the fifth O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the sixth O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the seventh O site, O is bonded to two equivalent La and two equivalent Nb atoms to form a mixture of distorted edge and corner-sharing OLa2Nb2 trigonal pyramids. In the eighth O site, O is bonded in a linear geometry to two equivalent Nb atoms.},
doi = {10.17188/1753108},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}