U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThAs2 by Materials Project
Abstract
ThAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine As2- atoms. There are a spread of Th–As bond distances ranging from 2.99–3.17 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent As2- atoms. All As–As bond lengths are 2.92 Å. In the second As2- site, As2- is bonded to five equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing AsTh5 trigonal bipyramids.
- Publication Date:
- Other Number(s):
- mp-7097
- 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-Th; ThAs2; crystal structure
- OSTI Identifier:
- 1282237
- DOI:
- https://doi.org/10.17188/1282237
Citation Formats
Materials Data on ThAs2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282237.
Materials Data on ThAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1282237
2020.
"Materials Data on ThAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1282237. https://www.osti.gov/servlets/purl/1282237. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1282237,
title = {Materials Data on ThAs2 by Materials Project},
abstractNote = {ThAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine As2- atoms. There are a spread of Th–As bond distances ranging from 2.99–3.17 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent As2- atoms. All As–As bond lengths are 2.92 Å. In the second As2- site, As2- is bonded to five equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing AsTh5 trigonal bipyramids.},
doi = {10.17188/1282237},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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