U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiIn(MoSe)6 by Materials Project
Abstract
LiIn(MoSe)6 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Li is bonded in a trigonal planar geometry to three equivalent Se atoms. All Li–Se bond lengths are 2.80 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to six Mo and four Se atoms. There are a spread of Mo–Mo bond distances ranging from 2.67–2.75 Å. There are a spread of Mo–Se bond distances ranging from 2.63–2.70 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to six Mo and four Se atoms. Both Mo–Mo bond lengths are 2.68 Å. There are a spread of Mo–Se bond distances ranging from 2.61–2.73 Å. In is bonded in a trigonal planar geometry to three equivalent Se atoms. All In–Se bond lengths are 2.94 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 1-coordinate geometry to one Li and four Mo atoms. In the second Se site, Se is bonded in a 5-coordinate geometry to four Mo and one In atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1222592
- 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; LiIn(MoSe)6; In-Li-Mo-Se
- OSTI Identifier:
- 1743927
- DOI:
- https://doi.org/10.17188/1743927
Citation Formats
The Materials Project. Materials Data on LiIn(MoSe)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1743927.
The Materials Project. Materials Data on LiIn(MoSe)6 by Materials Project. United States. doi:https://doi.org/10.17188/1743927
The Materials Project. 2020.
"Materials Data on LiIn(MoSe)6 by Materials Project". United States. doi:https://doi.org/10.17188/1743927. https://www.osti.gov/servlets/purl/1743927. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1743927,
title = {Materials Data on LiIn(MoSe)6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiIn(MoSe)6 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Li is bonded in a trigonal planar geometry to three equivalent Se atoms. All Li–Se bond lengths are 2.80 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to six Mo and four Se atoms. There are a spread of Mo–Mo bond distances ranging from 2.67–2.75 Å. There are a spread of Mo–Se bond distances ranging from 2.63–2.70 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to six Mo and four Se atoms. Both Mo–Mo bond lengths are 2.68 Å. There are a spread of Mo–Se bond distances ranging from 2.61–2.73 Å. In is bonded in a trigonal planar geometry to three equivalent Se atoms. All In–Se bond lengths are 2.94 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 1-coordinate geometry to one Li and four Mo atoms. In the second Se site, Se is bonded in a 5-coordinate geometry to four Mo and one In atom.},
doi = {10.17188/1743927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}