U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThIr5 by Materials Project
Abstract
ThIr5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a distorted hexagonal planar geometry to eighteen Ir atoms. There are six shorter (3.08 Å) and twelve longer (3.45 Å) Th–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Th and nine Ir atoms. There are six shorter (2.67 Å) and three longer (3.08 Å) Ir–Ir bond lengths. In the second Ir site, Ir is bonded to four equivalent Th and eight Ir atoms to form a mixture of edge, corner, and face-sharing IrTh4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.67 Å.
- Publication Date:
- Other Number(s):
- mp-312
- 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-Th; ThIr5; crystal structure
- OSTI Identifier:
- 1205500
- DOI:
- https://doi.org/10.17188/1205500
Citation Formats
Materials Data on ThIr5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205500.
Materials Data on ThIr5 by Materials Project. United States. doi:https://doi.org/10.17188/1205500
2020.
"Materials Data on ThIr5 by Materials Project". United States. doi:https://doi.org/10.17188/1205500. https://www.osti.gov/servlets/purl/1205500. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205500,
title = {Materials Data on ThIr5 by Materials Project},
abstractNote = {ThIr5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a distorted hexagonal planar geometry to eighteen Ir atoms. There are six shorter (3.08 Å) and twelve longer (3.45 Å) Th–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Th and nine Ir atoms. There are six shorter (2.67 Å) and three longer (3.08 Å) Ir–Ir bond lengths. In the second Ir site, Ir is bonded to four equivalent Th and eight Ir atoms to form a mixture of edge, corner, and face-sharing IrTh4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.67 Å.},
doi = {10.17188/1205500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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