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Title: Materials Data on B8Ru11 by Materials Project

Abstract

Ru11B8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are six inequivalent Ru+2.18+ sites. In the first Ru+2.18+ site, Ru+2.18+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Ru–B bond distances ranging from 2.23–2.76 Å. In the second Ru+2.18+ site, Ru+2.18+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Ru–B bond lengths are 2.25 Å. In the third Ru+2.18+ site, Ru+2.18+ is bonded in a 6-coordinate geometry to six B3- atoms. There are two shorter (2.29 Å) and four longer (2.32 Å) Ru–B bond lengths. In the fourth Ru+2.18+ site, Ru+2.18+ is bonded in a trigonal non-coplanar geometry to three B3- atoms. There are two shorter (2.12 Å) and one longer (2.19 Å) Ru–B bond lengths. In the fifth Ru+2.18+ site, Ru+2.18+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ru–B bond distances ranging from 2.21–2.46 Å. In the sixth Ru+2.18+ site, Ru+2.18+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ru–B bond distances ranging from 2.15–2.53 Å. There are four inequivalent B3- sites. In the first B3- site, B3-more » is bonded in a 7-coordinate geometry to seven Ru+2.18+ atoms. In the second B3- site, B3- is bonded in a 7-coordinate geometry to six Ru+2.18+ and two equivalent B3- atoms. Both B–B bond lengths are 1.80 Å. In the third B3- site, B3- is bonded in a 2-coordinate geometry to eight Ru+2.18+ and one B3- atom. The B–B bond length is 2.01 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to six Ru+2.18+ and three B3- atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505535
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; B8Ru11; B-Ru
OSTI Identifier:
1262573
DOI:
10.17188/1262573

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on B8Ru11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262573.
Persson, Kristin, & Project, Materials. Materials Data on B8Ru11 by Materials Project. United States. doi:10.17188/1262573.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on B8Ru11 by Materials Project". United States. doi:10.17188/1262573. https://www.osti.gov/servlets/purl/1262573. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1262573,
title = {Materials Data on B8Ru11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ru11B8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are six inequivalent Ru+2.18+ sites. In the first Ru+2.18+ site, Ru+2.18+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Ru–B bond distances ranging from 2.23–2.76 Å. In the second Ru+2.18+ site, Ru+2.18+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Ru–B bond lengths are 2.25 Å. In the third Ru+2.18+ site, Ru+2.18+ is bonded in a 6-coordinate geometry to six B3- atoms. There are two shorter (2.29 Å) and four longer (2.32 Å) Ru–B bond lengths. In the fourth Ru+2.18+ site, Ru+2.18+ is bonded in a trigonal non-coplanar geometry to three B3- atoms. There are two shorter (2.12 Å) and one longer (2.19 Å) Ru–B bond lengths. In the fifth Ru+2.18+ site, Ru+2.18+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ru–B bond distances ranging from 2.21–2.46 Å. In the sixth Ru+2.18+ site, Ru+2.18+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ru–B bond distances ranging from 2.15–2.53 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 7-coordinate geometry to seven Ru+2.18+ atoms. In the second B3- site, B3- is bonded in a 7-coordinate geometry to six Ru+2.18+ and two equivalent B3- atoms. Both B–B bond lengths are 1.80 Å. In the third B3- site, B3- is bonded in a 2-coordinate geometry to eight Ru+2.18+ and one B3- atom. The B–B bond length is 2.01 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to six Ru+2.18+ and three B3- atoms.},
doi = {10.17188/1262573},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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