Materials Data on NpAgSeO5 by Materials Project

Abstract

NpAgSeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Np5+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Np–O bond distances ranging from 1.88–2.53 Å. Ag1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.33–2.84 Å. Se4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.75 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Np5+, one Ag1+, and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Np5+ and two equivalent Ag1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Se4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Np5+ and three equivalent Ag1+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ag1+ and one Se4+ atom.