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Title: Materials Data on Tb3Ce by Materials Project

Abstract

Tb3Ce is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Ce atoms to form TbTb8Ce4 cuboctahedra that share corners with twelve equivalent TbTb8Ce4 cuboctahedra, edges with eight equivalent CeTb12 cuboctahedra, edges with sixteen TbTb8Ce4 cuboctahedra, faces with four equivalent CeTb12 cuboctahedra, and faces with fourteen TbTb8Ce4 cuboctahedra. There are four shorter (3.52 Å) and four longer (3.54 Å) Tb–Tb bond lengths. All Tb–Ce bond lengths are 3.52 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Ce atoms to form TbTb8Ce4 cuboctahedra that share corners with four equivalent TbTb8Ce4 cuboctahedra, corners with eight equivalent CeTb12 cuboctahedra, edges with twenty-four TbTb8Ce4 cuboctahedra, faces with six equivalent CeTb12 cuboctahedra, and faces with twelve TbTb8Ce4 cuboctahedra. All Tb–Ce bond lengths are 3.54 Å. Ce is bonded to twelve Tb atoms to form CeTb12 cuboctahedra that share corners with four equivalent CeTb12 cuboctahedra, corners with eight equivalent TbTb8Ce4 cuboctahedra, edges with eight equivalent CeTb12 cuboctahedra, edges with sixteen equivalent TbTb8Ce4 cuboctahedra, faces with four equivalent CeTb12 cuboctahedra, and faces withmore » fourteen TbTb8Ce4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1187354
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; Tb3Ce; Ce-Tb
OSTI Identifier:
1681596
DOI:
https://doi.org/10.17188/1681596

Citation Formats

The Materials Project. Materials Data on Tb3Ce by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681596.
The Materials Project. Materials Data on Tb3Ce by Materials Project. United States. doi:https://doi.org/10.17188/1681596
The Materials Project. 2020. "Materials Data on Tb3Ce by Materials Project". United States. doi:https://doi.org/10.17188/1681596. https://www.osti.gov/servlets/purl/1681596. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1681596,
title = {Materials Data on Tb3Ce by Materials Project},
author = {The Materials Project},
abstractNote = {Tb3Ce is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Ce atoms to form TbTb8Ce4 cuboctahedra that share corners with twelve equivalent TbTb8Ce4 cuboctahedra, edges with eight equivalent CeTb12 cuboctahedra, edges with sixteen TbTb8Ce4 cuboctahedra, faces with four equivalent CeTb12 cuboctahedra, and faces with fourteen TbTb8Ce4 cuboctahedra. There are four shorter (3.52 Å) and four longer (3.54 Å) Tb–Tb bond lengths. All Tb–Ce bond lengths are 3.52 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Ce atoms to form TbTb8Ce4 cuboctahedra that share corners with four equivalent TbTb8Ce4 cuboctahedra, corners with eight equivalent CeTb12 cuboctahedra, edges with twenty-four TbTb8Ce4 cuboctahedra, faces with six equivalent CeTb12 cuboctahedra, and faces with twelve TbTb8Ce4 cuboctahedra. All Tb–Ce bond lengths are 3.54 Å. Ce is bonded to twelve Tb atoms to form CeTb12 cuboctahedra that share corners with four equivalent CeTb12 cuboctahedra, corners with eight equivalent TbTb8Ce4 cuboctahedra, edges with eight equivalent CeTb12 cuboctahedra, edges with sixteen equivalent TbTb8Ce4 cuboctahedra, faces with four equivalent CeTb12 cuboctahedra, and faces with fourteen TbTb8Ce4 cuboctahedra.},
doi = {10.17188/1681596},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}