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Title: Materials Data on B4Mo by Materials Project

Abstract

MoB4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to twelve equivalent B+1.50- atoms to form a mixture of edge and face-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.34 Å. In the second Mo6+ site, Mo6+ is bonded to twelve equivalent B+1.50- atoms to form edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.18 Å. B+1.50- is bonded in a 7-coordinate geometry to three Mo6+ and four equivalent B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.77–2.22 Å.

Authors:
Publication Date:
Other Number(s):
mp-1228687
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; B4Mo; B-Mo
OSTI Identifier:
1680849
DOI:
https://doi.org/10.17188/1680849

Citation Formats

The Materials Project. Materials Data on B4Mo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680849.
The Materials Project. Materials Data on B4Mo by Materials Project. United States. doi:https://doi.org/10.17188/1680849
The Materials Project. 2020. "Materials Data on B4Mo by Materials Project". United States. doi:https://doi.org/10.17188/1680849. https://www.osti.gov/servlets/purl/1680849. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680849,
title = {Materials Data on B4Mo by Materials Project},
author = {The Materials Project},
abstractNote = {MoB4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to twelve equivalent B+1.50- atoms to form a mixture of edge and face-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.34 Å. In the second Mo6+ site, Mo6+ is bonded to twelve equivalent B+1.50- atoms to form edge-sharing MoB12 cuboctahedra. All Mo–B bond lengths are 2.18 Å. B+1.50- is bonded in a 7-coordinate geometry to three Mo6+ and four equivalent B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.77–2.22 Å.},
doi = {10.17188/1680849},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}