Materials Data on Pu31Pt20 by Materials Project
Pu31Pt20 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are seven inequivalent Pu sites. In the first Pu site, Pu is bonded to four Pt atoms to form edge-sharing PuPt4 tetrahedra. There are two shorter (2.95 Å) and two longer (2.98 Å) Pu–Pt bond lengths. In the second Pu site, Pu is bonded in a 5-coordinate geometry to six Pt atoms. There are a spread of Pu–Pt bond distances ranging from 3.00–3.58 Å. In the third Pu site, Pu is bonded to four equivalent Pt atoms to form distorted edge-sharing PuPt4 tetrahedra. All Pu–Pt bond lengths are 2.88 Å. In the fourth Pu site, Pu is bonded in a 4-coordinate geometry to four Pt atoms. There are two shorter (2.75 Å) and two longer (2.98 Å) Pu–Pt bond lengths. In the fifth Pu site, Pu is bonded in a 6-coordinate geometry to six Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.87–3.21 Å. In the sixth Pu site, Pu is bonded in a 6-coordinate geometry to six Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.89–3.28 Å. In the seventh Pu site, Pu is bonded in a 6-coordinate geometry to six Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.97–3.39 Å. There are eight inequivalent Pt sites. In the first Pt site, Pt is bonded in a 11-coordinate geometry to ten Pu and one Pt atom. The Pt–Pt bond length is 3.23 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to eight Pu and one Pt atom. The Pt–Pt bond length is 2.85 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to ten Pu atoms. In the fourth Pt site, Pt is bonded in a 10-coordinate geometry to eight equivalent Pu and two equivalent Pt atoms. Both Pt–Pt bond lengths are 2.72 Å. In the fifth Pt site, Pt is bonded in a body-centered cubic geometry to eight equivalent Pu atoms. In the sixth Pt site, Pt is bonded in a 10-coordinate geometry to eight Pu atoms. In the seventh Pt site, Pt is bonded in a 8-coordinate geometry to eight Pu and one Pt atom. In the eighth Pt site, Pt is bonded in a 10-coordinate geometry to eight Pu and two Pt atoms.
- 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:
- 1283632
- Report Number(s):
- mp-680426
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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