U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThSi3Ru by Materials Project
Abstract
ThRuSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to five equivalent Ru and twelve Si atoms. There are four shorter (3.38 Å) and one longer (3.39 Å) Th–Ru bond lengths. There are a spread of Th–Si bond distances ranging from 3.11–3.38 Å. Ru is bonded in a 5-coordinate geometry to five equivalent Th and five Si atoms. There are one shorter (2.36 Å) and four longer (2.38 Å) Ru–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Th, one Ru, and four equivalent Si atoms. All Si–Si bond lengths are 2.61 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Th, two equivalent Ru, and two equivalent Si atoms.
- Publication Date:
- Other Number(s):
- mp-1068732
- 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; Ru-Si-Th; ThSi3Ru; crystal structure
- OSTI Identifier:
- 1743787
- DOI:
- https://doi.org/10.17188/1743787
Citation Formats
Materials Data on ThSi3Ru by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1743787.
Materials Data on ThSi3Ru by Materials Project. United States. doi:https://doi.org/10.17188/1743787
2020.
"Materials Data on ThSi3Ru by Materials Project". United States. doi:https://doi.org/10.17188/1743787. https://www.osti.gov/servlets/purl/1743787. Pub date:Sun Apr 26 04:00:00 UTC 2020
@article{osti_1743787,
title = {Materials Data on ThSi3Ru by Materials Project},
abstractNote = {ThRuSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to five equivalent Ru and twelve Si atoms. There are four shorter (3.38 Å) and one longer (3.39 Å) Th–Ru bond lengths. There are a spread of Th–Si bond distances ranging from 3.11–3.38 Å. Ru is bonded in a 5-coordinate geometry to five equivalent Th and five Si atoms. There are one shorter (2.36 Å) and four longer (2.38 Å) Ru–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Th, one Ru, and four equivalent Si atoms. All Si–Si bond lengths are 2.61 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Th, two equivalent Ru, and two equivalent Si atoms.},
doi = {10.17188/1743787},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}