Materials Data on LiLa2MoO6 by Materials Project
Abstract
LiLa2MoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Li–O bond distances ranging from 2.15–2.25 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.88 Å. Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Mo–O bond distances ranging from 1.96–2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent La3+, and one Mo5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent La3+, and one Mo5+ atom. In the third O2- site, O2- is bonded to one Li1+, two equivalent La3+, and one Mo5+ atom to form distorted corner-sharing OLiLa2Mo tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-19377
- 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; LiLa2MoO6; La-Li-Mo-O
- OSTI Identifier:
- 1194384
- DOI:
- https://doi.org/10.17188/1194384
Citation Formats
The Materials Project. Materials Data on LiLa2MoO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194384.
The Materials Project. Materials Data on LiLa2MoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1194384
The Materials Project. 2020.
"Materials Data on LiLa2MoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1194384. https://www.osti.gov/servlets/purl/1194384. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1194384,
title = {Materials Data on LiLa2MoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiLa2MoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Li–O bond distances ranging from 2.15–2.25 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.88 Å. Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Mo–O bond distances ranging from 1.96–2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent La3+, and one Mo5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent La3+, and one Mo5+ atom. In the third O2- site, O2- is bonded to one Li1+, two equivalent La3+, and one Mo5+ atom to form distorted corner-sharing OLiLa2Mo tetrahedra.},
doi = {10.17188/1194384},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}