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Title: Materials Data on Eu3Tc by Materials Project

Abstract

Eu3Tc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Eu and four equivalent Tc atoms to form distorted EuEu4Tc4 cuboctahedra that share corners with eight equivalent TcEu12 cuboctahedra, corners with sixteen EuEu4Tc4 cuboctahedra, edges with four equivalent TcEu12 cuboctahedra, edges with sixteen EuEu4Tc4 cuboctahedra, and faces with six equivalent EuEu4Tc4 cuboctahedra. All Eu–Eu bond lengths are 3.41 Å. All Eu–Tc bond lengths are 3.41 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent Tc atoms to form EuEu8Tc4 cuboctahedra that share corners with eight equivalent TcEu12 cuboctahedra, corners with twenty EuEu4Tc4 cuboctahedra, edges with sixteen EuEu4Tc4 cuboctahedra, faces with four equivalent EuEu8Tc4 cuboctahedra, and faces with six equivalent TcEu12 cuboctahedra. All Eu–Tc bond lengths are 3.49 Å. Tc is bonded to twelve Eu atoms to form TcEu12 cuboctahedra that share corners with four equivalent TcEu12 cuboctahedra, corners with twenty-four EuEu4Tc4 cuboctahedra, edges with eight equivalent EuEu4Tc4 cuboctahedra, edges with eight equivalent TcEu12 cuboctahedra, faces with four equivalent TcEu12 cuboctahedra, and faces with six equivalent EuEu8Tc4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1184397
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; Eu3Tc; Eu-Tc
OSTI Identifier:
1733461
DOI:
https://doi.org/10.17188/1733461

Citation Formats

The Materials Project. Materials Data on Eu3Tc by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1733461.
The Materials Project. Materials Data on Eu3Tc by Materials Project. United States. doi:https://doi.org/10.17188/1733461
The Materials Project. 2019. "Materials Data on Eu3Tc by Materials Project". United States. doi:https://doi.org/10.17188/1733461. https://www.osti.gov/servlets/purl/1733461. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1733461,
title = {Materials Data on Eu3Tc by Materials Project},
author = {The Materials Project},
abstractNote = {Eu3Tc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Eu and four equivalent Tc atoms to form distorted EuEu4Tc4 cuboctahedra that share corners with eight equivalent TcEu12 cuboctahedra, corners with sixteen EuEu4Tc4 cuboctahedra, edges with four equivalent TcEu12 cuboctahedra, edges with sixteen EuEu4Tc4 cuboctahedra, and faces with six equivalent EuEu4Tc4 cuboctahedra. All Eu–Eu bond lengths are 3.41 Å. All Eu–Tc bond lengths are 3.41 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent Tc atoms to form EuEu8Tc4 cuboctahedra that share corners with eight equivalent TcEu12 cuboctahedra, corners with twenty EuEu4Tc4 cuboctahedra, edges with sixteen EuEu4Tc4 cuboctahedra, faces with four equivalent EuEu8Tc4 cuboctahedra, and faces with six equivalent TcEu12 cuboctahedra. All Eu–Tc bond lengths are 3.49 Å. Tc is bonded to twelve Eu atoms to form TcEu12 cuboctahedra that share corners with four equivalent TcEu12 cuboctahedra, corners with twenty-four EuEu4Tc4 cuboctahedra, edges with eight equivalent EuEu4Tc4 cuboctahedra, edges with eight equivalent TcEu12 cuboctahedra, faces with four equivalent TcEu12 cuboctahedra, and faces with six equivalent EuEu8Tc4 cuboctahedra.},
doi = {10.17188/1733461},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}