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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PuSe by Materials Project

PuSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded to six equivalent Se atoms to form a mixture of edge and corner-sharing PuSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–Se bond lengths are 2.94 Å. Se is bonded to six equivalent Pu atoms to form a mixture of edge and corner-sharing SePu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuSe2 by Materials Project

PuSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Pu–Se bond distances ranging from 2.98–3.07 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five equivalent Pu4+ atoms to form a mixture of distorted corner and edge-sharing SePu5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Pu4+ atoms.

36 MATERIALS SCIENCE↗