U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TcRu3 by Materials Project
Abstract
TcRu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc is bonded to twelve equivalent Ru atoms to form TcRu12 cuboctahedra that share corners with six equivalent TcRu12 cuboctahedra, corners with twelve equivalent RuTc4Ru8 cuboctahedra, edges with eighteen equivalent RuTc4Ru8 cuboctahedra, faces with eight equivalent TcRu12 cuboctahedra, and faces with twelve equivalent RuTc4Ru8 cuboctahedra. There are six shorter (2.68 Å) and six longer (2.74 Å) Tc–Ru bond lengths. Ru is bonded to four equivalent Tc and eight equivalent Ru atoms to form distorted RuTc4Ru8 cuboctahedra that share corners with four equivalent TcRu12 cuboctahedra, corners with fourteen equivalent RuTc4Ru8 cuboctahedra, edges with six equivalent TcRu12 cuboctahedra, edges with twelve equivalent RuTc4Ru8 cuboctahedra, faces with four equivalent TcRu12 cuboctahedra, and faces with sixteen equivalent RuTc4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.68–2.75 Å.
- Publication Date:
- Other Number(s):
- mp-867356
- 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-Tc; TcRu3; crystal structure
- OSTI Identifier:
- 1312021
- DOI:
- https://doi.org/10.17188/1312021
Citation Formats
Materials Data on TcRu3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312021.
Materials Data on TcRu3 by Materials Project. United States. doi:https://doi.org/10.17188/1312021
2020.
"Materials Data on TcRu3 by Materials Project". United States. doi:https://doi.org/10.17188/1312021. https://www.osti.gov/servlets/purl/1312021. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1312021,
title = {Materials Data on TcRu3 by Materials Project},
abstractNote = {TcRu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc is bonded to twelve equivalent Ru atoms to form TcRu12 cuboctahedra that share corners with six equivalent TcRu12 cuboctahedra, corners with twelve equivalent RuTc4Ru8 cuboctahedra, edges with eighteen equivalent RuTc4Ru8 cuboctahedra, faces with eight equivalent TcRu12 cuboctahedra, and faces with twelve equivalent RuTc4Ru8 cuboctahedra. There are six shorter (2.68 Å) and six longer (2.74 Å) Tc–Ru bond lengths. Ru is bonded to four equivalent Tc and eight equivalent Ru atoms to form distorted RuTc4Ru8 cuboctahedra that share corners with four equivalent TcRu12 cuboctahedra, corners with fourteen equivalent RuTc4Ru8 cuboctahedra, edges with six equivalent TcRu12 cuboctahedra, edges with twelve equivalent RuTc4Ru8 cuboctahedra, faces with four equivalent TcRu12 cuboctahedra, and faces with sixteen equivalent RuTc4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.68–2.75 Å.},
doi = {10.17188/1312021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}