DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Tb3Cu20Sb11 by Materials Project

Abstract

Tb3Cu20Sb11 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are a spread of Tb–Sb bond distances ranging from 3.18–3.38 Å. There are four inequivalent Cu+1.20+ sites. In the first Cu+1.20+ site, Cu+1.20+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. There are a spread of Cu–Sb bond distances ranging from 2.64–2.77 Å. In the second Cu+1.20+ site, Cu+1.20+ is bonded in a 6-coordinate geometry to three equivalent Cu+1.20+ and three equivalent Sb3- atoms. All Cu–Cu bond lengths are 2.46 Å. All Cu–Sb bond lengths are 2.66 Å. In the third Cu+1.20+ site, Cu+1.20+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. There are a spread of Cu–Sb bond distances ranging from 2.68–2.78 Å. In the fourth Cu+1.20+ site, Cu+1.20+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. There are a spread of Cu–Sb bond distances ranging from 2.68–2.76 Å. There are five inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a distorted q6 geometry to three equivalentmore » Tb3+ and six Cu+1.20+ atoms. In the second Sb3- site, Sb3- is bonded in a cuboctahedral geometry to twelve equivalent Cu+1.20+ atoms. In the third Sb3- site, Sb3- is bonded in a distorted q6 geometry to three equivalent Tb3+ and six Cu+1.20+ atoms. In the fourth Sb3- site, Sb3- is bonded in a cuboctahedral geometry to twelve equivalent Cu+1.20+ atoms. In the fifth Sb3- site, Sb3- is bonded in a 9-coordinate geometry to two equivalent Tb3+ and seven Cu+1.20+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1209278
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; Tb3Cu20Sb11; Cu-Sb-Tb
OSTI Identifier:
1708317
DOI:
https://doi.org/10.17188/1708317

Citation Formats

The Materials Project. Materials Data on Tb3Cu20Sb11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708317.
The Materials Project. Materials Data on Tb3Cu20Sb11 by Materials Project. United States. doi:https://doi.org/10.17188/1708317
The Materials Project. 2020. "Materials Data on Tb3Cu20Sb11 by Materials Project". United States. doi:https://doi.org/10.17188/1708317. https://www.osti.gov/servlets/purl/1708317. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708317,
title = {Materials Data on Tb3Cu20Sb11 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb3Cu20Sb11 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are a spread of Tb–Sb bond distances ranging from 3.18–3.38 Å. There are four inequivalent Cu+1.20+ sites. In the first Cu+1.20+ site, Cu+1.20+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. There are a spread of Cu–Sb bond distances ranging from 2.64–2.77 Å. In the second Cu+1.20+ site, Cu+1.20+ is bonded in a 6-coordinate geometry to three equivalent Cu+1.20+ and three equivalent Sb3- atoms. All Cu–Cu bond lengths are 2.46 Å. All Cu–Sb bond lengths are 2.66 Å. In the third Cu+1.20+ site, Cu+1.20+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. There are a spread of Cu–Sb bond distances ranging from 2.68–2.78 Å. In the fourth Cu+1.20+ site, Cu+1.20+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. There are a spread of Cu–Sb bond distances ranging from 2.68–2.76 Å. There are five inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a distorted q6 geometry to three equivalent Tb3+ and six Cu+1.20+ atoms. In the second Sb3- site, Sb3- is bonded in a cuboctahedral geometry to twelve equivalent Cu+1.20+ atoms. In the third Sb3- site, Sb3- is bonded in a distorted q6 geometry to three equivalent Tb3+ and six Cu+1.20+ atoms. In the fourth Sb3- site, Sb3- is bonded in a cuboctahedral geometry to twelve equivalent Cu+1.20+ atoms. In the fifth Sb3- site, Sb3- is bonded in a 9-coordinate geometry to two equivalent Tb3+ and seven Cu+1.20+ atoms.},
doi = {10.17188/1708317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}