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Title: Materials Data on Ce5Rh4 by Materials Project

Abstract

Ce5Rh4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.84–3.37 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.80–3.04 Å. In the third Ce site, Ce is bonded to six Rh atoms to form distorted corner-sharing CeRh6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of Ce–Rh bond distances ranging from 2.67–3.23 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to eight Ce and one Rh atom. The Rh–Rh bond length is 2.85 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Ce atoms. In the third Rh site, Rh is bonded in a 9-coordinate geometry to eight Ce and one Rh atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-680602
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; Ce5Rh4; Ce-Rh
OSTI Identifier:
1283685
DOI:
10.17188/1283685

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce5Rh4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283685.
Persson, Kristin, & Project, Materials. Materials Data on Ce5Rh4 by Materials Project. United States. doi:10.17188/1283685.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce5Rh4 by Materials Project". United States. doi:10.17188/1283685. https://www.osti.gov/servlets/purl/1283685. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1283685,
title = {Materials Data on Ce5Rh4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce5Rh4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.84–3.37 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.80–3.04 Å. In the third Ce site, Ce is bonded to six Rh atoms to form distorted corner-sharing CeRh6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of Ce–Rh bond distances ranging from 2.67–3.23 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to eight Ce and one Rh atom. The Rh–Rh bond length is 2.85 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Ce atoms. In the third Rh site, Rh is bonded in a 9-coordinate geometry to eight Ce and one Rh atom.},
doi = {10.17188/1283685},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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