Materials Data on Pu2Se3 by Materials Project

Abstract

Pu2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PuSe8 hexagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.90–3.16 Å. In the second Pu3+ site, Pu3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PuSe8 hexagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.92–3.10 Å. In the third Pu3+ site, Pu3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PuSe8 hexagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.94–3.12 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SePu5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Pu3+ atoms. In the third Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SePu5 square pyramids.