Materials Data on NpCrO11 by Materials Project

Abstract

NpCrO7(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four trioxidane molecules; two water water molecules; and one NpCrO7 sheet oriented in the (1, 0, 0) direction. In the NpCrO7 sheet, Np is bonded to seven O atoms to form distorted NpO7 pentagonal bipyramids that share corners with three equivalent CrO4 tetrahedra and an edgeedge with one NpO7 pentagonal bipyramid. There are a spread of Np–O bond distances ranging from 1.79–2.37 Å. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with three equivalent NpO7 pentagonal bipyramids. There are a spread of Cr–O bond distances ranging from 1.60–1.70 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Np and one Cr atom. In the second O site, O is bonded in a single-bond geometry to one Np atom. In the third O site, O is bonded in a single-bond geometry to one Np atom. In the fourth O site, O is bonded in a single-bond geometry to one Cr atom. In the fifth O site, O is bonded in a water-like geometry to two equivalent Np atoms. In the sixth O site, O is bonded in a distorted linear geometry to one Np and one Cr atom. In the seventh O site, O is bonded in a 1-coordinate geometry to one Np and one Cr atom.