Materials Data on Cs2NpO3 by Materials Project

Abstract

Cs2NpO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.01–3.42 Å. Np4+ is bonded to five O2- atoms to form distorted edge-sharing NpO5 trigonal bipyramids. There are a spread of Np–O bond distances ranging from 2.04–2.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Np4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Np4+ atom.