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Title: Materials Data on Si3Mo by Materials Project

Abstract

MoSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of corner and face-sharing MoSi12 cuboctahedra. There are six shorter (2.61 Å) and six longer (2.81 Å) Mo–Si bond lengths. Si+1.33- is bonded in a 12-coordinate geometry to four equivalent Mo4+ and eight equivalent Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.89 Å.

Authors:
Publication Date:
Other Number(s):
mp-978525
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; Si3Mo; Mo-Si
OSTI Identifier:
1315941
DOI:
https://doi.org/10.17188/1315941

Citation Formats

The Materials Project. Materials Data on Si3Mo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315941.
The Materials Project. Materials Data on Si3Mo by Materials Project. United States. doi:https://doi.org/10.17188/1315941
The Materials Project. 2020. "Materials Data on Si3Mo by Materials Project". United States. doi:https://doi.org/10.17188/1315941. https://www.osti.gov/servlets/purl/1315941. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1315941,
title = {Materials Data on Si3Mo by Materials Project},
author = {The Materials Project},
abstractNote = {MoSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of corner and face-sharing MoSi12 cuboctahedra. There are six shorter (2.61 Å) and six longer (2.81 Å) Mo–Si bond lengths. Si+1.33- is bonded in a 12-coordinate geometry to four equivalent Mo4+ and eight equivalent Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.89 Å.},
doi = {10.17188/1315941},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}