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Title: 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.

Publication Date:
Other Number(s):
mp-1222592
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; 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}
}