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Title: Materials Data on Pu(SiPd)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195211· OSTI ID:1195211

Pu(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu4+ is bonded to eight equivalent Si4- atoms to form PuSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent PuSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent PuSi8 hexagonal bipyramids. All Pu–Si bond lengths are 3.08 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent PuSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent PuSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.48 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pu4+, four equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.30 Å.

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:
1195211
Report Number(s):
mp-20047
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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