U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-1202146
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Au-Tb; TbAs2Au; crystal structure
- OSTI Identifier:
- 1680884
- DOI:
- https://doi.org/10.17188/1680884
Citation Formats
Materials Data on TbAs2Au by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1680884.
Materials Data on TbAs2Au by Materials Project. United States. doi:https://doi.org/10.17188/1680884
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 04:00:00 UTC 2019
@article{osti_1680884,
title = {Materials Data on TbAs2Au by 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}
}