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Title: Materials Data on YB4Mo by Materials Project

Abstract

YMoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Y–B bond distances ranging from 2.68–2.83 Å. Mo3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mo–B bond distances ranging from 2.37–2.41 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Mo3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.79–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Y3+, four equivalent Mo3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.78 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Mo3+, and three B+1.50- atoms. The B–B bond length is 1.86 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Y3+, two equivalent Mo3+, and three B+1.50- atoms. The B–B bond length is 1.78 Å.

Publication Date:
Other Number(s):
mp-7691
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; YB4Mo; B-Mo-Y
OSTI Identifier:
1298644
DOI:
10.17188/1298644

Citation Formats

The Materials Project. Materials Data on YB4Mo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298644.
The Materials Project. Materials Data on YB4Mo by Materials Project. United States. doi:10.17188/1298644.
The Materials Project. 2020. "Materials Data on YB4Mo by Materials Project". United States. doi:10.17188/1298644. https://www.osti.gov/servlets/purl/1298644. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1298644,
title = {Materials Data on YB4Mo by Materials Project},
author = {The Materials Project},
abstractNote = {YMoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Y–B bond distances ranging from 2.68–2.83 Å. Mo3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mo–B bond distances ranging from 2.37–2.41 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Mo3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.79–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Y3+, four equivalent Mo3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.78 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent Mo3+, and three B+1.50- atoms. The B–B bond length is 1.86 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Y3+, two equivalent Mo3+, and three B+1.50- atoms. The B–B bond length is 1.78 Å.},
doi = {10.17188/1298644},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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