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Title: Materials Data on Pu2B6Ru by Materials Project

Abstract

Pu2RuB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Pu+3.50+ sites. In the first Pu+3.50+ site, Pu+3.50+ is bonded in a 2-coordinate geometry to fourteen B2- atoms. There are a spread of Pu–B bond distances ranging from 2.60–2.78 Å. In the second Pu+3.50+ site, Pu+3.50+ is bonded in a 12-coordinate geometry to one Pu+3.50+ and twelve B2- atoms. The Pu–Pu bond length is 2.58 Å. There are a spread of Pu–B bond distances ranging from 2.64–2.70 Å. Ru5+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Ru–B bond distances ranging from 2.33–2.38 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Pu+3.50+, two equivalent Ru5+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.79–1.86 Å. In the second B2- site, B2- is bonded in a 3-coordinate geometry to four Pu+3.50+, two equivalent Ru5+, and three B2- atoms. There is one shorter (1.70 Å) and one longer (1.80 Å) B–B bond length. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four Pu+3.50+, twomore » equivalent Ru5+, and three B2- atoms. There is one shorter (1.77 Å) and one longer (1.87 Å) B–B bond length. In the fourth B2- site, B2- is bonded in a 3-coordinate geometry to four Pu+3.50+, two equivalent Ru5+, and three B2- atoms. There is one shorter (1.70 Å) and one longer (1.81 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four Pu+3.50+, two equivalent Ru5+, and three B2- atoms. In the sixth B2- site, B2- is bonded in a 8-coordinate geometry to six Pu+3.50+ and two B2- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1201055
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; Pu2B6Ru; B-Pu-Ru
OSTI Identifier:
1689774
DOI:
https://doi.org/10.17188/1689774

Citation Formats

The Materials Project. Materials Data on Pu2B6Ru by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1689774.
The Materials Project. Materials Data on Pu2B6Ru by Materials Project. United States. doi:https://doi.org/10.17188/1689774
The Materials Project. 2019. "Materials Data on Pu2B6Ru by Materials Project". United States. doi:https://doi.org/10.17188/1689774. https://www.osti.gov/servlets/purl/1689774. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1689774,
title = {Materials Data on Pu2B6Ru by Materials Project},
author = {The Materials Project},
abstractNote = {Pu2RuB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Pu+3.50+ sites. In the first Pu+3.50+ site, Pu+3.50+ is bonded in a 2-coordinate geometry to fourteen B2- atoms. There are a spread of Pu–B bond distances ranging from 2.60–2.78 Å. In the second Pu+3.50+ site, Pu+3.50+ is bonded in a 12-coordinate geometry to one Pu+3.50+ and twelve B2- atoms. The Pu–Pu bond length is 2.58 Å. There are a spread of Pu–B bond distances ranging from 2.64–2.70 Å. Ru5+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Ru–B bond distances ranging from 2.33–2.38 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Pu+3.50+, two equivalent Ru5+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.79–1.86 Å. In the second B2- site, B2- is bonded in a 3-coordinate geometry to four Pu+3.50+, two equivalent Ru5+, and three B2- atoms. There is one shorter (1.70 Å) and one longer (1.80 Å) B–B bond length. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four Pu+3.50+, two equivalent Ru5+, and three B2- atoms. There is one shorter (1.77 Å) and one longer (1.87 Å) B–B bond length. In the fourth B2- site, B2- is bonded in a 3-coordinate geometry to four Pu+3.50+, two equivalent Ru5+, and three B2- atoms. There is one shorter (1.70 Å) and one longer (1.81 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four Pu+3.50+, two equivalent Ru5+, and three B2- atoms. In the sixth B2- site, B2- is bonded in a 8-coordinate geometry to six Pu+3.50+ and two B2- atoms.},
doi = {10.17188/1689774},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}