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Title: Materials Data on Tb6Cu23 by Materials Project

Abstract

Tb6Cu23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Tb–Cu bond distances ranging from 2.90–3.07 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.48–2.64 Å. In the second Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Cu–Cu bond lengths are 2.56 Å. In the third Cu site, Cu is bonded to four equivalent Tb and eight Cu atoms to form a mixture of corner and face-sharing CuTb4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.65 Å. In the fourth Cu site, Cu is bonded in a 3-coordinate geometry to three equivalent Tb and ten Cu atoms. All Cu–Cu bond lengths are 2.95 Å.

Authors:
Publication Date:
Other Number(s):
mp-1192934
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; Tb6Cu23; Cu-Tb
OSTI Identifier:
1678580
DOI:
https://doi.org/10.17188/1678580

Citation Formats

The Materials Project. Materials Data on Tb6Cu23 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1678580.
The Materials Project. Materials Data on Tb6Cu23 by Materials Project. United States. doi:https://doi.org/10.17188/1678580
The Materials Project. 2019. "Materials Data on Tb6Cu23 by Materials Project". United States. doi:https://doi.org/10.17188/1678580. https://www.osti.gov/servlets/purl/1678580. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1678580,
title = {Materials Data on Tb6Cu23 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb6Cu23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Tb–Cu bond distances ranging from 2.90–3.07 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.48–2.64 Å. In the second Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Cu–Cu bond lengths are 2.56 Å. In the third Cu site, Cu is bonded to four equivalent Tb and eight Cu atoms to form a mixture of corner and face-sharing CuTb4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.65 Å. In the fourth Cu site, Cu is bonded in a 3-coordinate geometry to three equivalent Tb and ten Cu atoms. All Cu–Cu bond lengths are 2.95 Å.},
doi = {10.17188/1678580},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}