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Title: Materials Data on Eu3Th by Materials Project

Abstract

ThEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Eu atoms to form ThEu12 cuboctahedra that share corners with four equivalent ThEu12 cuboctahedra, corners with eight equivalent EuEu8Th4 cuboctahedra, edges with eight equivalent ThEu12 cuboctahedra, edges with sixteen equivalent EuEu8Th4 cuboctahedra, faces with four equivalent ThEu12 cuboctahedra, and faces with fourteen EuEu8Th4 cuboctahedra. There are four shorter (3.79 Å) and eight longer (3.80 Å) Th–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Th and eight Eu atoms to form EuEu8Th4 cuboctahedra that share corners with twelve equivalent EuEu8Th4 cuboctahedra, edges with eight equivalent ThEu12 cuboctahedra, edges with sixteen EuEu8Th4 cuboctahedra, faces with four equivalent ThEu12 cuboctahedra, and faces with fourteen EuEu8Th4 cuboctahedra. There are four shorter (3.79 Å) and four longer (3.80 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Th and eight equivalent Eu atoms to form EuEu8Th4 cuboctahedra that share corners with four equivalent EuEu8Th4 cuboctahedra, corners with eight equivalent ThEu12 cuboctahedra, edges with twenty-four EuEu8Th4 cuboctahedra, faces with six equivalent ThEu12 cuboctahedra, and faces withmore » twelve EuEu8Th4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1184405
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; Eu3Th; Eu-Th
OSTI Identifier:
1663750
DOI:
https://doi.org/10.17188/1663750

Citation Formats

The Materials Project. Materials Data on Eu3Th by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663750.
The Materials Project. Materials Data on Eu3Th by Materials Project. United States. doi:https://doi.org/10.17188/1663750
The Materials Project. 2020. "Materials Data on Eu3Th by Materials Project". United States. doi:https://doi.org/10.17188/1663750. https://www.osti.gov/servlets/purl/1663750. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1663750,
title = {Materials Data on Eu3Th by Materials Project},
author = {The Materials Project},
abstractNote = {ThEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Eu atoms to form ThEu12 cuboctahedra that share corners with four equivalent ThEu12 cuboctahedra, corners with eight equivalent EuEu8Th4 cuboctahedra, edges with eight equivalent ThEu12 cuboctahedra, edges with sixteen equivalent EuEu8Th4 cuboctahedra, faces with four equivalent ThEu12 cuboctahedra, and faces with fourteen EuEu8Th4 cuboctahedra. There are four shorter (3.79 Å) and eight longer (3.80 Å) Th–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Th and eight Eu atoms to form EuEu8Th4 cuboctahedra that share corners with twelve equivalent EuEu8Th4 cuboctahedra, edges with eight equivalent ThEu12 cuboctahedra, edges with sixteen EuEu8Th4 cuboctahedra, faces with four equivalent ThEu12 cuboctahedra, and faces with fourteen EuEu8Th4 cuboctahedra. There are four shorter (3.79 Å) and four longer (3.80 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Th and eight equivalent Eu atoms to form EuEu8Th4 cuboctahedra that share corners with four equivalent EuEu8Th4 cuboctahedra, corners with eight equivalent ThEu12 cuboctahedra, edges with twenty-four EuEu8Th4 cuboctahedra, faces with six equivalent ThEu12 cuboctahedra, and faces with twelve EuEu8Th4 cuboctahedra.},
doi = {10.17188/1663750},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}