U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TcIr3 by Materials Project
Abstract
TcIr3 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 Ir atoms to form TcIr12 cuboctahedra that share corners with six equivalent TcIr12 cuboctahedra, corners with twelve equivalent IrTc4Ir8 cuboctahedra, edges with eighteen equivalent IrTc4Ir8 cuboctahedra, faces with eight equivalent TcIr12 cuboctahedra, and faces with twelve equivalent IrTc4Ir8 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.76 Å) Tc–Ir bond lengths. Ir is bonded to four equivalent Tc and eight equivalent Ir atoms to form distorted IrTc4Ir8 cuboctahedra that share corners with four equivalent TcIr12 cuboctahedra, corners with fourteen equivalent IrTc4Ir8 cuboctahedra, edges with six equivalent TcIr12 cuboctahedra, edges with twelve equivalent IrTc4Ir8 cuboctahedra, faces with four equivalent TcIr12 cuboctahedra, and faces with sixteen equivalent IrTc4Ir8 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.71–2.77 Å.
- Publication Date:
- Other Number(s):
- mp-867345
- 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; Ir-Tc; TcIr3; crystal structure
- OSTI Identifier:
- 1312011
- DOI:
- https://doi.org/10.17188/1312011
Citation Formats
Materials Data on TcIr3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312011.
Materials Data on TcIr3 by Materials Project. United States. doi:https://doi.org/10.17188/1312011
2020.
"Materials Data on TcIr3 by Materials Project". United States. doi:https://doi.org/10.17188/1312011. https://www.osti.gov/servlets/purl/1312011. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1312011,
title = {Materials Data on TcIr3 by Materials Project},
abstractNote = {TcIr3 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 Ir atoms to form TcIr12 cuboctahedra that share corners with six equivalent TcIr12 cuboctahedra, corners with twelve equivalent IrTc4Ir8 cuboctahedra, edges with eighteen equivalent IrTc4Ir8 cuboctahedra, faces with eight equivalent TcIr12 cuboctahedra, and faces with twelve equivalent IrTc4Ir8 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.76 Å) Tc–Ir bond lengths. Ir is bonded to four equivalent Tc and eight equivalent Ir atoms to form distorted IrTc4Ir8 cuboctahedra that share corners with four equivalent TcIr12 cuboctahedra, corners with fourteen equivalent IrTc4Ir8 cuboctahedra, edges with six equivalent TcIr12 cuboctahedra, edges with twelve equivalent IrTc4Ir8 cuboctahedra, faces with four equivalent TcIr12 cuboctahedra, and faces with sixteen equivalent IrTc4Ir8 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.71–2.77 Å.},
doi = {10.17188/1312011},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}