U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThGaIr by Materials Project
Abstract
ThIrGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to five Ir and six equivalent Ga atoms. There are four shorter (3.00 Å) and one longer (3.01 Å) Th–Ir bond lengths. There are two shorter (3.27 Å) and four longer (3.32 Å) Th–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Ga atoms. All Ir–Ga bond lengths are 2.67 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Ga atoms. All Ir–Ga bond lengths are 2.85 Å. Ga is bonded in a 12-coordinate geometry to six equivalent Th, four Ir, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.94 Å.
- Publication Date:
- Other Number(s):
- mp-1079844
- 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; Ga-Ir-Th; ThGaIr; crystal structure
- OSTI Identifier:
- 1707302
- DOI:
- https://doi.org/10.17188/1707302
Citation Formats
Materials Data on ThGaIr by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707302.
Materials Data on ThGaIr by Materials Project. United States. doi:https://doi.org/10.17188/1707302
2020.
"Materials Data on ThGaIr by Materials Project". United States. doi:https://doi.org/10.17188/1707302. https://www.osti.gov/servlets/purl/1707302. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1707302,
title = {Materials Data on ThGaIr by Materials Project},
abstractNote = {ThIrGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to five Ir and six equivalent Ga atoms. There are four shorter (3.00 Å) and one longer (3.01 Å) Th–Ir bond lengths. There are two shorter (3.27 Å) and four longer (3.32 Å) Th–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Ga atoms. All Ir–Ga bond lengths are 2.67 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Ga atoms. All Ir–Ga bond lengths are 2.85 Å. Ga is bonded in a 12-coordinate geometry to six equivalent Th, four Ir, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.94 Å.},
doi = {10.17188/1707302},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}