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Title: Materials Data on Eu3Ti by Materials Project

Abstract

Eu3Ti 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 eight Eu and four equivalent Ti atoms to form EuEu8Ti4 cuboctahedra that share corners with twelve equivalent EuEu8Ti4 cuboctahedra, edges with eight equivalent TiEu12 cuboctahedra, edges with sixteen EuEu8Ti4 cuboctahedra, faces with four equivalent TiEu12 cuboctahedra, and faces with fourteen EuEu8Ti4 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.66 Å) Eu–Eu bond lengths. All Eu–Ti bond lengths are 3.66 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent Ti atoms to form EuEu8Ti4 cuboctahedra that share corners with four equivalent EuEu8Ti4 cuboctahedra, corners with eight equivalent TiEu12 cuboctahedra, edges with twenty-four EuEu8Ti4 cuboctahedra, faces with six equivalent TiEu12 cuboctahedra, and faces with twelve EuEu8Ti4 cuboctahedra. All Eu–Ti bond lengths are 3.64 Å. Ti is bonded to twelve Eu atoms to form TiEu12 cuboctahedra that share corners with four equivalent TiEu12 cuboctahedra, corners with eight equivalent EuEu8Ti4 cuboctahedra, edges with eight equivalent TiEu12 cuboctahedra, edges with sixteen equivalent EuEu8Ti4 cuboctahedra, faces with four equivalent TiEu12 cuboctahedra, and faces withmore » fourteen EuEu8Ti4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1184338
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; Eu3Ti; Eu-Ti
OSTI Identifier:
1758226
DOI:
https://doi.org/10.17188/1758226

Citation Formats

The Materials Project. Materials Data on Eu3Ti by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758226.
The Materials Project. Materials Data on Eu3Ti by Materials Project. United States. doi:https://doi.org/10.17188/1758226
The Materials Project. 2020. "Materials Data on Eu3Ti by Materials Project". United States. doi:https://doi.org/10.17188/1758226. https://www.osti.gov/servlets/purl/1758226. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758226,
title = {Materials Data on Eu3Ti by Materials Project},
author = {The Materials Project},
abstractNote = {Eu3Ti 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 eight Eu and four equivalent Ti atoms to form EuEu8Ti4 cuboctahedra that share corners with twelve equivalent EuEu8Ti4 cuboctahedra, edges with eight equivalent TiEu12 cuboctahedra, edges with sixteen EuEu8Ti4 cuboctahedra, faces with four equivalent TiEu12 cuboctahedra, and faces with fourteen EuEu8Ti4 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.66 Å) Eu–Eu bond lengths. All Eu–Ti bond lengths are 3.66 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent Ti atoms to form EuEu8Ti4 cuboctahedra that share corners with four equivalent EuEu8Ti4 cuboctahedra, corners with eight equivalent TiEu12 cuboctahedra, edges with twenty-four EuEu8Ti4 cuboctahedra, faces with six equivalent TiEu12 cuboctahedra, and faces with twelve EuEu8Ti4 cuboctahedra. All Eu–Ti bond lengths are 3.64 Å. Ti is bonded to twelve Eu atoms to form TiEu12 cuboctahedra that share corners with four equivalent TiEu12 cuboctahedra, corners with eight equivalent EuEu8Ti4 cuboctahedra, edges with eight equivalent TiEu12 cuboctahedra, edges with sixteen equivalent EuEu8Ti4 cuboctahedra, faces with four equivalent TiEu12 cuboctahedra, and faces with fourteen EuEu8Ti4 cuboctahedra.},
doi = {10.17188/1758226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}