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Title: Materials Data on TmBRh3 by Materials Project

Abstract

TmRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Rh atoms to form TmRh12 cuboctahedra that share corners with twelve equivalent TmRh12 cuboctahedra, faces with six equivalent TmRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Tm–Rh bond lengths are 2.96 Å. Rh is bonded to four equivalent Tm and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing RhTm4B2 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 TmRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5438
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; TmBRh3; B-Rh-Tm
OSTI Identifier:
1266939
DOI:
10.17188/1266939

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TmBRh3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266939.
Persson, Kristin, & Project, Materials. Materials Data on TmBRh3 by Materials Project. United States. doi:10.17188/1266939.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TmBRh3 by Materials Project". United States. doi:10.17188/1266939. https://www.osti.gov/servlets/purl/1266939. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1266939,
title = {Materials Data on TmBRh3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TmRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Rh atoms to form TmRh12 cuboctahedra that share corners with twelve equivalent TmRh12 cuboctahedra, faces with six equivalent TmRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Tm–Rh bond lengths are 2.96 Å. Rh is bonded to four equivalent Tm and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing RhTm4B2 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 TmRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1266939},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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