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Title: Materials Data on Eu3Pd by Materials Project

Abstract

Eu3Pd is H-Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted T-shaped geometry to three equivalent Eu and three equivalent Pd atoms. All Eu–Eu bond lengths are 4.11 Å. All Eu–Pd bond lengths are 2.95 Å. In the second Eu site, Eu is bonded to twelve Eu atoms to form EuEu12 cuboctahedra that share corners with six equivalent EuEu12 cuboctahedra, corners with six equivalent PdEu6 octahedra, edges with six equivalent EuEu12 cuboctahedra, edges with six equivalent PdEu6 octahedra, and faces with six equivalent EuEu12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. All Eu–Eu bond lengths are 4.16 Å. In the third Eu site, Eu is bonded in a distorted T-shaped geometry to three equivalent Eu and three equivalent Pd atoms. All Eu–Eu bond lengths are 4.11 Å. All Eu–Pd bond lengths are 2.95 Å. In the fourth Eu site, Eu is bonded to sixteen Eu atoms to form EuEu16 cuboctahedra that share corners with six equivalent EuEu16 cuboctahedra, corners with six equivalent PdEu6 octahedra, edges with ten equivalent EuEu16 cuboctahedra, edges with six equivalent PdEu6 octahedra, andmore » faces with sixteen equivalent EuEu16 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There are a spread of Eu–Eu bond distances ranging from 4.11–8.32 Å. In the fifth Eu site, Eu is bonded in a distorted T-shaped geometry to three equivalent Eu and three equivalent Pd atoms. All Eu–Pd bond lengths are 2.95 Å. Pd is bonded to six equivalent Eu atoms to form PdEu6 octahedra that share corners with six equivalent EuEu12 cuboctahedra, edges with six equivalent EuEu12 cuboctahedra, and edges with six equivalent PdEu6 octahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1225764
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Eu3Pd; Eu-Pd
OSTI Identifier:
1738588
DOI:
https://doi.org/10.17188/1738588

Citation Formats

The Materials Project. Materials Data on Eu3Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738588.
The Materials Project. Materials Data on Eu3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1738588
The Materials Project. 2020. "Materials Data on Eu3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1738588. https://www.osti.gov/servlets/purl/1738588. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738588,
title = {Materials Data on Eu3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Eu3Pd is H-Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted T-shaped geometry to three equivalent Eu and three equivalent Pd atoms. All Eu–Eu bond lengths are 4.11 Å. All Eu–Pd bond lengths are 2.95 Å. In the second Eu site, Eu is bonded to twelve Eu atoms to form EuEu12 cuboctahedra that share corners with six equivalent EuEu12 cuboctahedra, corners with six equivalent PdEu6 octahedra, edges with six equivalent EuEu12 cuboctahedra, edges with six equivalent PdEu6 octahedra, and faces with six equivalent EuEu12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. All Eu–Eu bond lengths are 4.16 Å. In the third Eu site, Eu is bonded in a distorted T-shaped geometry to three equivalent Eu and three equivalent Pd atoms. All Eu–Eu bond lengths are 4.11 Å. All Eu–Pd bond lengths are 2.95 Å. In the fourth Eu site, Eu is bonded to sixteen Eu atoms to form EuEu16 cuboctahedra that share corners with six equivalent EuEu16 cuboctahedra, corners with six equivalent PdEu6 octahedra, edges with ten equivalent EuEu16 cuboctahedra, edges with six equivalent PdEu6 octahedra, and faces with sixteen equivalent EuEu16 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There are a spread of Eu–Eu bond distances ranging from 4.11–8.32 Å. In the fifth Eu site, Eu is bonded in a distorted T-shaped geometry to three equivalent Eu and three equivalent Pd atoms. All Eu–Pd bond lengths are 2.95 Å. Pd is bonded to six equivalent Eu atoms to form PdEu6 octahedra that share corners with six equivalent EuEu12 cuboctahedra, edges with six equivalent EuEu12 cuboctahedra, and edges with six equivalent PdEu6 octahedra.},
doi = {10.17188/1738588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}