Materials Data on NpCO4 by Materials Project

Abstract

NpCO4 crystallizes in the tetragonal P4_1 space group. The structure is three-dimensional. Np4+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing NpO7 pentagonal bipyramids. There are a spread of Np–O bond distances ranging from 1.88–2.58 Å. C4+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.26 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Np4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Np4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Np4+ and one C4+ atom.