Materials Data on Np2Se3 by Materials Project

Abstract

Np2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Np3+ sites. In the first Np3+ site, Np3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing NpSe8 hexagonal bipyramids. There are a spread of Np–Se bond distances ranging from 2.90–3.12 Å. In the second Np3+ site, Np3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing NpSe8 hexagonal bipyramids. There are a spread of Np–Se bond distances ranging from 2.91–3.07 Å. In the third Np3+ site, Np3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing NpSe8 hexagonal bipyramids. There are a spread of Np–Se bond distances ranging from 2.93–3.12 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Np3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeNp5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Np3+ atoms. In the third Se2- site, Se2- is bonded to five Np3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeNp5 square pyramids.