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Title: Materials Data on TbCu5 by Materials Project

Abstract

TbCu5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.92 Å) and four longer (3.05 Å) Tb–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Tb and twelve equivalent Cu atoms to form distorted CuTb4Cu12 tetrahedra that share corners with twelve equivalent CuTb3Cu9 cuboctahedra, faces with twenty-eight equivalent CuTb3Cu9 cuboctahedra, and faces with twelve equivalent CuTb4Cu12 tetrahedra. All Cu–Cu bond lengths are 2.92 Å. In the second Cu site, Cu is bonded to three equivalent Tb and nine Cu atoms to form distorted CuTb3Cu9 cuboctahedra that share corners with eighteen equivalent CuTb3Cu9 cuboctahedra, corners with three equivalent CuTb4Cu12 tetrahedra, edges with six equivalent CuTb3Cu9 cuboctahedra, faces with eighteen equivalent CuTb3Cu9 cuboctahedra, and faces with seven equivalent CuTb4Cu12 tetrahedra. There are three shorter (2.47 Å) and three longer (2.52 Å) Cu–Cu bond lengths.

Publication Date:
Other Number(s):
mp-1077262
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; TbCu5; Cu-Tb
OSTI Identifier:
1680205
DOI:
https://doi.org/10.17188/1680205

Citation Formats

The Materials Project. Materials Data on TbCu5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680205.
The Materials Project. Materials Data on TbCu5 by Materials Project. United States. doi:https://doi.org/10.17188/1680205
The Materials Project. 2020. "Materials Data on TbCu5 by Materials Project". United States. doi:https://doi.org/10.17188/1680205. https://www.osti.gov/servlets/purl/1680205. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680205,
title = {Materials Data on TbCu5 by Materials Project},
author = {The Materials Project},
abstractNote = {TbCu5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.92 Å) and four longer (3.05 Å) Tb–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Tb and twelve equivalent Cu atoms to form distorted CuTb4Cu12 tetrahedra that share corners with twelve equivalent CuTb3Cu9 cuboctahedra, faces with twenty-eight equivalent CuTb3Cu9 cuboctahedra, and faces with twelve equivalent CuTb4Cu12 tetrahedra. All Cu–Cu bond lengths are 2.92 Å. In the second Cu site, Cu is bonded to three equivalent Tb and nine Cu atoms to form distorted CuTb3Cu9 cuboctahedra that share corners with eighteen equivalent CuTb3Cu9 cuboctahedra, corners with three equivalent CuTb4Cu12 tetrahedra, edges with six equivalent CuTb3Cu9 cuboctahedra, faces with eighteen equivalent CuTb3Cu9 cuboctahedra, and faces with seven equivalent CuTb4Cu12 tetrahedra. There are three shorter (2.47 Å) and three longer (2.52 Å) Cu–Cu bond lengths.},
doi = {10.17188/1680205},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}