Materials Data on Cs3Np(Cl2O)2 by Materials Project

Abstract

Cs3NpO2Cl4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to two equivalent O2- and six Cl1- atoms. There are one shorter (3.22 Å) and one longer (3.23 Å) Cs–O bond lengths. There are a spread of Cs–Cl bond distances ranging from 3.56–3.90 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to two equivalent O2- and six Cl1- atoms. Both Cs–O bond lengths are 3.12 Å. There are a spread of Cs–Cl bond distances ranging from 3.50–3.99 Å. Np5+ is bonded in a distorted linear geometry to two equivalent O2- and four Cl1- atoms. Both Np–O bond lengths are 1.85 Å. All Np–Cl bond lengths are 2.78 Å. O2- is bonded in a distorted single-bond geometry to three Cs1+ and one Np5+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Cs1+ and one Np5+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Cs1+ and one Np5+ atom.