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Title: Materials Data on TbAs2Au by Materials Project

Abstract

TbAuAs2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Tb–As bond distances ranging from 2.94–3.14 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Tb–As bond distances ranging from 2.94–3.14 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.73 Å) and two longer (2.97 Å) Au–As bond lengths. In the second Au3+ site, Au3+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.74 Å) and two longer (2.96 Å) Au–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four Tb3+ and four Au3+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four Tb3+ and four Au3+ atoms. In the third As3- site, As3- is bonded in a 8-coordinate geometry to four Tb3+ andmore » four equivalent As3- atoms. There are a spread of As–As bond distances ranging from 2.63–3.06 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1202146
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; TbAs2Au; As-Au-Tb
OSTI Identifier:
1680884
DOI:
https://doi.org/10.17188/1680884

Citation Formats

The Materials Project. Materials Data on TbAs2Au by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680884.
The Materials Project. Materials Data on TbAs2Au by Materials Project. United States. doi:https://doi.org/10.17188/1680884
The Materials Project. 2019. "Materials Data on TbAs2Au by Materials Project". United States. doi:https://doi.org/10.17188/1680884. https://www.osti.gov/servlets/purl/1680884. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1680884,
title = {Materials Data on TbAs2Au by Materials Project},
author = {The Materials Project},
abstractNote = {TbAuAs2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Tb–As bond distances ranging from 2.94–3.14 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Tb–As bond distances ranging from 2.94–3.14 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.73 Å) and two longer (2.97 Å) Au–As bond lengths. In the second Au3+ site, Au3+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.74 Å) and two longer (2.96 Å) Au–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four Tb3+ and four Au3+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four Tb3+ and four Au3+ atoms. In the third As3- site, As3- is bonded in a 8-coordinate geometry to four Tb3+ and four equivalent As3- atoms. There are a spread of As–As bond distances ranging from 2.63–3.06 Å.},
doi = {10.17188/1680884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}