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Title: Materials Data on TmAu3 by Materials Project

Abstract

TmAu3 is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Tm3+ is bonded to twelve Au1- atoms to form a mixture of edge, corner, and face-sharing TmAu12 cuboctahedra. There are a spread of Tm–Au bond distances ranging from 2.98–3.08 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted see-saw-like geometry to four equivalent Tm3+ atoms. In the second Au1- site, Au1- is bonded in a 12-coordinate geometry to four equivalent Tm3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-568247
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; TmAu3; Au-Tm
OSTI Identifier:
1274329
DOI:
https://doi.org/10.17188/1274329

Citation Formats

The Materials Project. Materials Data on TmAu3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1274329.
The Materials Project. Materials Data on TmAu3 by Materials Project. United States. doi:https://doi.org/10.17188/1274329
The Materials Project. 2019. "Materials Data on TmAu3 by Materials Project". United States. doi:https://doi.org/10.17188/1274329. https://www.osti.gov/servlets/purl/1274329. Pub date:Tue Jun 04 00:00:00 EDT 2019
@article{osti_1274329,
title = {Materials Data on TmAu3 by Materials Project},
author = {The Materials Project},
abstractNote = {TmAu3 is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Tm3+ is bonded to twelve Au1- atoms to form a mixture of edge, corner, and face-sharing TmAu12 cuboctahedra. There are a spread of Tm–Au bond distances ranging from 2.98–3.08 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted see-saw-like geometry to four equivalent Tm3+ atoms. In the second Au1- site, Au1- is bonded in a 12-coordinate geometry to four equivalent Tm3+ atoms.},
doi = {10.17188/1274329},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}