U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tm2NiAs2 by Materials Project
Abstract
Tm2NiAs2 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to three equivalent Ni and six As atoms. All Tm–Ni bond lengths are 3.10 Å. There are three shorter (2.88 Å) and three longer (2.95 Å) Tm–As bond lengths. In the second Tm site, Tm is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Tm–Ni bond lengths are 2.87 Å. There are three shorter (2.85 Å) and three longer (3.02 Å) Tm–As bond lengths. Ni is bonded in a 3-coordinate geometry to six Tm and three equivalent As atoms. All Ni–As bond lengths are 2.37 Å. There are two inequivalent As sites. In the first As site, As is bonded to six Tm atoms to form edge-sharing AsTm6 octahedra. In the second As site, As is bonded in a 9-coordinate geometry to six Tm and three equivalent Ni atoms.
- Publication Date:
- Other Number(s):
- mp-568266
- 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-Ni-Tm; Tm2NiAs2; crystal structure
- OSTI Identifier:
- 1274335
- DOI:
- https://doi.org/10.17188/1274335
Citation Formats
Materials Data on Tm2NiAs2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274335.
Materials Data on Tm2NiAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1274335
2020.
"Materials Data on Tm2NiAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1274335. https://www.osti.gov/servlets/purl/1274335. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1274335,
title = {Materials Data on Tm2NiAs2 by Materials Project},
abstractNote = {Tm2NiAs2 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to three equivalent Ni and six As atoms. All Tm–Ni bond lengths are 3.10 Å. There are three shorter (2.88 Å) and three longer (2.95 Å) Tm–As bond lengths. In the second Tm site, Tm is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Tm–Ni bond lengths are 2.87 Å. There are three shorter (2.85 Å) and three longer (3.02 Å) Tm–As bond lengths. Ni is bonded in a 3-coordinate geometry to six Tm and three equivalent As atoms. All Ni–As bond lengths are 2.37 Å. There are two inequivalent As sites. In the first As site, As is bonded to six Tm atoms to form edge-sharing AsTm6 octahedra. In the second As site, As is bonded in a 9-coordinate geometry to six Tm and three equivalent Ni atoms.},
doi = {10.17188/1274335},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}