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Title: Materials Data on PuB4Mo by Materials Project

Abstract

PuMoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Pu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Pu–B bond distances ranging from 2.68–2.81 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 2.36–2.40 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 Pu3+, two equivalent Mo3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.80–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Pu3+, two 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 two equivalent Pu3+, four equivalent Mo3+, and three B+1.50- atoms. Both B–B bond lengths are 1.78 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu3+, two equivalent Mo3+, and three B+1.50- atoms.

Publication Date:
Other Number(s):
mp-1190919
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; PuB4Mo; B-Mo-Pu
OSTI Identifier:
1682706
DOI:
https://doi.org/10.17188/1682706

Citation Formats

The Materials Project. Materials Data on PuB4Mo by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1682706.
The Materials Project. Materials Data on PuB4Mo by Materials Project. United States. doi:https://doi.org/10.17188/1682706
The Materials Project. 2019. "Materials Data on PuB4Mo by Materials Project". United States. doi:https://doi.org/10.17188/1682706. https://www.osti.gov/servlets/purl/1682706. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1682706,
title = {Materials Data on PuB4Mo by Materials Project},
author = {The Materials Project},
abstractNote = {PuMoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Pu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Pu–B bond distances ranging from 2.68–2.81 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 2.36–2.40 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 Pu3+, two equivalent Mo3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.80–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Pu3+, two 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 two equivalent Pu3+, four equivalent Mo3+, and three B+1.50- atoms. Both B–B bond lengths are 1.78 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu3+, two equivalent Mo3+, and three B+1.50- atoms.},
doi = {10.17188/1682706},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}