U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Th2(GeIr)3 by Materials Project
Abstract
Th2(IrGe)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to four equivalent Th, one Ir, and one Ge atom. All Th–Th bond lengths are 2.95 Å. The Th–Ir bond length is 2.53 Å. The Th–Ge bond length is 3.16 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted linear geometry to one Th and one Ge atom. The Ir–Ge bond length is 2.48 Å. In the second Ir site, Ir is bonded in a distorted linear geometry to two equivalent Ge atoms. Both Ir–Ge bond lengths are 2.37 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to one Th, one Ir, and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing GeThGe4Ir octahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Ge bond lengths are 2.95 Å. In the second Ge site, Ge is bonded in a distorted linear geometry to two equivalent Ir atoms.
- Publication Date:
- Other Number(s):
- mp-1206256
- 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; Ge-Ir-Th; Th2(GeIr)3; crystal structure
- OSTI Identifier:
- 1708298
- DOI:
- https://doi.org/10.17188/1708298
Citation Formats
Materials Data on Th2(GeIr)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1708298.
Materials Data on Th2(GeIr)3 by Materials Project. United States. doi:https://doi.org/10.17188/1708298
2019.
"Materials Data on Th2(GeIr)3 by Materials Project". United States. doi:https://doi.org/10.17188/1708298. https://www.osti.gov/servlets/purl/1708298. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1708298,
title = {Materials Data on Th2(GeIr)3 by Materials Project},
abstractNote = {Th2(IrGe)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to four equivalent Th, one Ir, and one Ge atom. All Th–Th bond lengths are 2.95 Å. The Th–Ir bond length is 2.53 Å. The Th–Ge bond length is 3.16 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted linear geometry to one Th and one Ge atom. The Ir–Ge bond length is 2.48 Å. In the second Ir site, Ir is bonded in a distorted linear geometry to two equivalent Ge atoms. Both Ir–Ge bond lengths are 2.37 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to one Th, one Ir, and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing GeThGe4Ir octahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Ge bond lengths are 2.95 Å. In the second Ge site, Ge is bonded in a distorted linear geometry to two equivalent Ir atoms.},
doi = {10.17188/1708298},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}