U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb(Al5Ru)2 by Materials Project
Abstract
TbRu2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Tb–Ru bond lengths are 3.47 Å. There are a spread of Tb–Al bond distances ranging from 3.16–3.70 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Tb and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.57–2.76 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Tb, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 3.06 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Tb, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.87 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tb, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.93 Å. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Tb, two equivalent Ru, and two equivalent Al atoms. Theremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1208361
- 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; Tb(Al5Ru)2; Al-Ru-Tb
- OSTI Identifier:
- 1655733
- DOI:
- https://doi.org/10.17188/1655733
Citation Formats
The Materials Project. Materials Data on Tb(Al5Ru)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1655733.
The Materials Project. Materials Data on Tb(Al5Ru)2 by Materials Project. United States. doi:https://doi.org/10.17188/1655733
The Materials Project. 2020.
"Materials Data on Tb(Al5Ru)2 by Materials Project". United States. doi:https://doi.org/10.17188/1655733. https://www.osti.gov/servlets/purl/1655733. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1655733,
title = {Materials Data on Tb(Al5Ru)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TbRu2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Tb–Ru bond lengths are 3.47 Å. There are a spread of Tb–Al bond distances ranging from 3.16–3.70 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Tb and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.57–2.76 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Tb, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 3.06 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Tb, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.87 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tb, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.93 Å. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Tb, two equivalent Ru, and two equivalent Al atoms. There are one shorter (2.67 Å) and one longer (2.82 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Tb, two equivalent Ru, and nine Al atoms. The Al–Al bond length is 2.71 Å.},
doi = {10.17188/1655733},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}