Materials Data on TlPd3O4 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1267317
- Report Number(s):
- mp-5478
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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