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Title: Materials Data on CeBRh3 by Materials Project

Abstract

CeRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Rh atoms to form CeRh12 cuboctahedra that share corners with twelve equivalent CeRh12 cuboctahedra, faces with six equivalent CeRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Ce–Rh bond lengths are 3.00 Å. Rh is bonded to four equivalent Ce and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhCe4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.12 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 CeRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-510376
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; CeBRh3; B-Ce-Rh
OSTI Identifier:
1262903
DOI:
10.17188/1262903

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CeBRh3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262903.
Persson, Kristin, & Project, Materials. Materials Data on CeBRh3 by Materials Project. United States. doi:10.17188/1262903.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CeBRh3 by Materials Project". United States. doi:10.17188/1262903. https://www.osti.gov/servlets/purl/1262903. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1262903,
title = {Materials Data on CeBRh3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CeRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Rh atoms to form CeRh12 cuboctahedra that share corners with twelve equivalent CeRh12 cuboctahedra, faces with six equivalent CeRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Ce–Rh bond lengths are 3.00 Å. Rh is bonded to four equivalent Ce and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhCe4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.12 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 CeRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1262903},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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