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Title: Materials Data on B5Mo2 by Materials Project

Abstract

Mo2B5 is Tungsten boride-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo+4.50+ is bonded in a 10-coordinate geometry to thirteen B+1.80- atoms. There are a spread of Mo–B bond distances ranging from 2.34–2.65 Å. There are three inequivalent B+1.80- sites. In the first B+1.80- site, B+1.80- is bonded in a 3-coordinate geometry to six equivalent Mo+4.50+ and three equivalent B+1.80- atoms. All B–B bond lengths are 1.78 Å. In the second B+1.80- site, B+1.80- is bonded in a 10-coordinate geometry to four equivalent Mo+4.50+ and six B+1.80- atoms. There is three shorter (1.82 Å) and three longer (1.94 Å) B–B bond length. In the third B+1.80- site, B+1.80- is bonded in a distorted hexagonal planar geometry to six equivalent Mo+4.50+ and six equivalent B+1.80- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7229
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; B5Mo2; B-Mo
OSTI Identifier:
1287525
DOI:
10.17188/1287525

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on B5Mo2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287525.
Persson, Kristin, & Project, Materials. Materials Data on B5Mo2 by Materials Project. United States. doi:10.17188/1287525.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on B5Mo2 by Materials Project". United States. doi:10.17188/1287525. https://www.osti.gov/servlets/purl/1287525. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1287525,
title = {Materials Data on B5Mo2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mo2B5 is Tungsten boride-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo+4.50+ is bonded in a 10-coordinate geometry to thirteen B+1.80- atoms. There are a spread of Mo–B bond distances ranging from 2.34–2.65 Å. There are three inequivalent B+1.80- sites. In the first B+1.80- site, B+1.80- is bonded in a 3-coordinate geometry to six equivalent Mo+4.50+ and three equivalent B+1.80- atoms. All B–B bond lengths are 1.78 Å. In the second B+1.80- site, B+1.80- is bonded in a 10-coordinate geometry to four equivalent Mo+4.50+ and six B+1.80- atoms. There is three shorter (1.82 Å) and three longer (1.94 Å) B–B bond length. In the third B+1.80- site, B+1.80- is bonded in a distorted hexagonal planar geometry to six equivalent Mo+4.50+ and six equivalent B+1.80- atoms.},
doi = {10.17188/1287525},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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