DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on In(MoSe)3 by Materials Project

Abstract

In(MoSe)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three 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 two shorter (2.67 Å) and four longer (2.73 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.64–2.72 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to six Mo and four Se atoms. There are one shorter (2.67 Å) and two longer (2.73 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.64–2.72 Å. In the third 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–Se bond distances ranging from 2.64–2.72 Å. In is bonded in a trigonal planar geometry to three Se atoms. All In–Se bond lengths are 3.31 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded in a 5-coordinate geometry to four Mo and one In atom. In the second Se site, Se is bonded in a 5-coordinate geometry to fourmore » Mo and one In atom. In the third Se site, Se is bonded in a 5-coordinate geometry to four Mo and one In atom.« less

Authors:
Publication Date:
Other Number(s):
mp-20152
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; In(MoSe)3; In-Mo-Se
OSTI Identifier:
1195295
DOI:
https://doi.org/10.17188/1195295

Citation Formats

The Materials Project. Materials Data on In(MoSe)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195295.
The Materials Project. Materials Data on In(MoSe)3 by Materials Project. United States. doi:https://doi.org/10.17188/1195295
The Materials Project. 2020. "Materials Data on In(MoSe)3 by Materials Project". United States. doi:https://doi.org/10.17188/1195295. https://www.osti.gov/servlets/purl/1195295. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1195295,
title = {Materials Data on In(MoSe)3 by Materials Project},
author = {The Materials Project},
abstractNote = {In(MoSe)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three 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 two shorter (2.67 Å) and four longer (2.73 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.64–2.72 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to six Mo and four Se atoms. There are one shorter (2.67 Å) and two longer (2.73 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.64–2.72 Å. In the third 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–Se bond distances ranging from 2.64–2.72 Å. In is bonded in a trigonal planar geometry to three Se atoms. All In–Se bond lengths are 3.31 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded in a 5-coordinate geometry to four Mo and one In atom. In the second Se site, Se is bonded in a 5-coordinate geometry to four Mo and one In atom. In the third Se site, Se is bonded in a 5-coordinate geometry to four Mo and one In atom.},
doi = {10.17188/1195295},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}