U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbSi3Rh5 by Materials Project
Abstract
TbRh5Si3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six Rh and six Si atoms. There are two shorter (3.07 Å) and four longer (3.13 Å) Tb–Rh bond lengths. There are a spread of Tb–Si bond distances ranging from 3.07–3.11 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si atoms. There are one shorter (2.34 Å) and two longer (2.50 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tb and four Si atoms. There are two shorter (2.40 Å) and two longer (2.48 Å) Rh–Si bond lengths. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tb and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.41–2.50 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tb and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.42–2.51 Å. In the fifth Rh site, Rh is bonded in a 5-coordinatemore »
- Publication Date:
- Other Number(s):
- mp-21748
- 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; crystal structure; Rh-Si-Tb; TbSi3Rh5
- OSTI Identifier:
- 1197147
- DOI:
- https://doi.org/10.17188/1197147
Citation Formats
Materials Data on TbSi3Rh5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197147.
Materials Data on TbSi3Rh5 by Materials Project. United States. doi:https://doi.org/10.17188/1197147
2020.
"Materials Data on TbSi3Rh5 by Materials Project". United States. doi:https://doi.org/10.17188/1197147. https://www.osti.gov/servlets/purl/1197147. Pub date:Wed Apr 29 20:00:00 EDT 2020
@article{osti_1197147,
title = {Materials Data on TbSi3Rh5 by Materials Project},
abstractNote = {TbRh5Si3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six Rh and six Si atoms. There are two shorter (3.07 Å) and four longer (3.13 Å) Tb–Rh bond lengths. There are a spread of Tb–Si bond distances ranging from 3.07–3.11 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si atoms. There are one shorter (2.34 Å) and two longer (2.50 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tb and four Si atoms. There are two shorter (2.40 Å) and two longer (2.48 Å) Rh–Si bond lengths. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tb and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.41–2.50 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tb and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.42–2.51 Å. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are one shorter (2.37 Å) and four longer (2.52 Å) Rh–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to two equivalent Tb and six Rh atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Tb and seven Rh atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Tb and seven Rh atoms.},
doi = {10.17188/1197147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}