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Title: Materials Data on Ce3YRh4 by Materials Project

Abstract

Ce3YRh4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.86–3.16 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.88–3.25 Å. In the third 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 2.85–3.10 Å. Y is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Y–Rh bond distances ranging from 2.88–3.21 Å. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to six Ce, one Y, and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.95 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Ce and two equivalent Y atoms. In the third Rh site, Rh is bonded in a 7-coordinate geometry to three Ce and four equivalent Y atoms.more » In the fourth Rh site, Rh is bonded in a 5-coordinate geometry to seven Ce and two equivalent Rh atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1226855
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; Ce3YRh4; Ce-Rh-Y
OSTI Identifier:
1672170
DOI:
10.17188/1672170

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce3YRh4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672170.
Persson, Kristin, & Project, Materials. Materials Data on Ce3YRh4 by Materials Project. United States. doi:10.17188/1672170.
Persson, Kristin, and Project, Materials. 2019. "Materials Data on Ce3YRh4 by Materials Project". United States. doi:10.17188/1672170. https://www.osti.gov/servlets/purl/1672170. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1672170,
title = {Materials Data on Ce3YRh4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce3YRh4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.86–3.16 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.88–3.25 Å. In the third 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 2.85–3.10 Å. Y is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Y–Rh bond distances ranging from 2.88–3.21 Å. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to six Ce, one Y, and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.95 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Ce and two equivalent Y atoms. In the third Rh site, Rh is bonded in a 7-coordinate geometry to three Ce and four equivalent Y atoms. In the fourth Rh site, Rh is bonded in a 5-coordinate geometry to seven Ce and two equivalent Rh atoms.},
doi = {10.17188/1672170},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

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