U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TlPd3O4 by Materials Project
Abstract
TlPd3O4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded in a square co-planar geometry to two equivalent Tl and four equivalent O atoms. Both Pd–Tl bond lengths are 3.45 Å. All Pd–O bond lengths are 2.04 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to twelve equivalent Pd atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent TlPd12 cuboctahedra and edges with twenty-four equivalent OTlPd3 tetrahedra. In the second Tl site, Tl is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Tl–O bond lengths are 2.39 Å. O is bonded to three equivalent Pd and one Tl atom to form OTlPd3 tetrahedra that share corners with ten equivalent OTlPd3 tetrahedra, edges with three equivalent TlPd12 cuboctahedra, and edges with three equivalent OTlPd3 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-5478
- 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; O-Pd-Tl; TlPd3O4; crystal structure
- OSTI Identifier:
- 1267317
- DOI:
- https://doi.org/10.17188/1267317
Citation Formats
Materials Data on TlPd3O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267317.
Materials Data on TlPd3O4 by Materials Project. United States. doi:https://doi.org/10.17188/1267317
2020.
"Materials Data on TlPd3O4 by Materials Project". United States. doi:https://doi.org/10.17188/1267317. https://www.osti.gov/servlets/purl/1267317. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1267317,
title = {Materials Data on TlPd3O4 by Materials Project},
abstractNote = {TlPd3O4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded in a square co-planar geometry to two equivalent Tl and four equivalent O atoms. Both Pd–Tl bond lengths are 3.45 Å. All Pd–O bond lengths are 2.04 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to twelve equivalent Pd atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent TlPd12 cuboctahedra and edges with twenty-four equivalent OTlPd3 tetrahedra. In the second Tl site, Tl is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Tl–O bond lengths are 2.39 Å. O is bonded to three equivalent Pd and one Tl atom to form OTlPd3 tetrahedra that share corners with ten equivalent OTlPd3 tetrahedra, edges with three equivalent TlPd12 cuboctahedra, and edges with three equivalent OTlPd3 tetrahedra.},
doi = {10.17188/1267317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}