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Title: Materials Data on Yb2B6Ru by Materials Project

Abstract

Yb2RuB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 12-coordinate geometry to fourteen B1- atoms. There are a spread of Yb–B bond distances ranging from 2.72–2.88 Å. In the second Yb2+ site, Yb2+ is bonded to twelve B1- atoms to form a mixture of edge and face-sharing YbB12 cuboctahedra. There are a spread of Yb–B bond distances ranging from 2.57–2.61 Å. Ru2+ is bonded in a 10-coordinate geometry to ten B1- atoms. There are a spread of Ru–B bond distances ranging from 2.37–2.40 Å. There are six inequivalent B1- sites. In the first B1- site, B1- is bonded in a 3-coordinate geometry to four equivalent Yb2+, two equivalent Ru2+, and three B1- atoms. There are a spread of B–B bond distances ranging from 1.76–1.81 Å. In the second B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. There is one shorter (1.80 Å) and one longer (1.83 Å) B–B bond length. In the third B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and threemore » B1- atoms. There is one shorter (1.71 Å) and one longer (1.80 Å) B–B bond length. In the fourth B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. There is one shorter (1.79 Å) and one longer (1.84 Å) B–B bond length. In the fifth B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. In the sixth B1- site, B1- is bonded in a 9-coordinate geometry to six Yb2+ and three B1- atoms. The B–B bond length is 1.83 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1200067
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; Yb2B6Ru; B-Ru-Yb
OSTI Identifier:
1741810
DOI:
https://doi.org/10.17188/1741810

Citation Formats

The Materials Project. Materials Data on Yb2B6Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741810.
The Materials Project. Materials Data on Yb2B6Ru by Materials Project. United States. doi:https://doi.org/10.17188/1741810
The Materials Project. 2020. "Materials Data on Yb2B6Ru by Materials Project". United States. doi:https://doi.org/10.17188/1741810. https://www.osti.gov/servlets/purl/1741810. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1741810,
title = {Materials Data on Yb2B6Ru by Materials Project},
author = {The Materials Project},
abstractNote = {Yb2RuB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 12-coordinate geometry to fourteen B1- atoms. There are a spread of Yb–B bond distances ranging from 2.72–2.88 Å. In the second Yb2+ site, Yb2+ is bonded to twelve B1- atoms to form a mixture of edge and face-sharing YbB12 cuboctahedra. There are a spread of Yb–B bond distances ranging from 2.57–2.61 Å. Ru2+ is bonded in a 10-coordinate geometry to ten B1- atoms. There are a spread of Ru–B bond distances ranging from 2.37–2.40 Å. There are six inequivalent B1- sites. In the first B1- site, B1- is bonded in a 3-coordinate geometry to four equivalent Yb2+, two equivalent Ru2+, and three B1- atoms. There are a spread of B–B bond distances ranging from 1.76–1.81 Å. In the second B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. There is one shorter (1.80 Å) and one longer (1.83 Å) B–B bond length. In the third B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. There is one shorter (1.71 Å) and one longer (1.80 Å) B–B bond length. In the fourth B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. There is one shorter (1.79 Å) and one longer (1.84 Å) B–B bond length. In the fifth B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. In the sixth B1- site, B1- is bonded in a 9-coordinate geometry to six Yb2+ and three B1- atoms. The B–B bond length is 1.83 Å.},
doi = {10.17188/1741810},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}