Materials Data on PdPt3 by Materials Project
Pt3Pd is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Pd2+ atoms to form PtPd4Pt8 cuboctahedra that share corners with twelve equivalent PtPd4Pt8 cuboctahedra, edges with eight equivalent PdPt12 cuboctahedra, edges with sixteen PtPd4Pt8 cuboctahedra, faces with four equivalent PdPt12 cuboctahedra, and faces with fourteen PtPd4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.81 Å. All Pt–Pd bond lengths are 2.81 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight equivalent Pt+0.67- and four equivalent Pd2+ atoms to form PtPd4Pt8 cuboctahedra that share corners with four equivalent PtPd4Pt8 cuboctahedra, corners with eight equivalent PdPt12 cuboctahedra, edges with twenty-four PtPd4Pt8 cuboctahedra, faces with six equivalent PdPt12 cuboctahedra, and faces with twelve PtPd4Pt8 cuboctahedra. All Pt–Pd bond lengths are 2.81 Å. Pd2+ is bonded to twelve Pt+0.67- atoms to form PdPt12 cuboctahedra that share corners with four equivalent PdPt12 cuboctahedra, corners with eight equivalent PtPd4Pt8 cuboctahedra, edges with eight equivalent PdPt12 cuboctahedra, edges with sixteen equivalent PtPd4Pt8 cuboctahedra, faces with four equivalent PdPt12 cuboctahedra, and faces with fourteen PtPd4Pt8 cuboctahedra.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1723250
- Report Number(s):
- mp-1186450
- Country of Publication:
- United States
- Language:
- English
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