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Title: Materials Data on YbBRh3 by Materials Project

Abstract

YbRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Rh atoms to form YbRh12 cuboctahedra that share corners with twelve equivalent YbRh12 cuboctahedra, faces with six equivalent YbRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Yb–Rh bond lengths are 2.95 Å. Rh is bonded to four equivalent Yb and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhYb4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.09 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent YbRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3686
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; YbBRh3; B-Rh-Yb
OSTI Identifier:
1207254
DOI:
10.17188/1207254

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on YbBRh3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207254.
Persson, Kristin, & Project, Materials. Materials Data on YbBRh3 by Materials Project. United States. doi:10.17188/1207254.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on YbBRh3 by Materials Project". United States. doi:10.17188/1207254. https://www.osti.gov/servlets/purl/1207254. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207254,
title = {Materials Data on YbBRh3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {YbRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Rh atoms to form YbRh12 cuboctahedra that share corners with twelve equivalent YbRh12 cuboctahedra, faces with six equivalent YbRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Yb–Rh bond lengths are 2.95 Å. Rh is bonded to four equivalent Yb and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhYb4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.09 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent YbRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1207254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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