Materials Data on KNp(CO3)2 by Materials Project

Abstract

KNp(CO3)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two KNp(CO3)2 sheets oriented in the (1, 0, 0) direction. K1+ is bonded to six O2- atoms to form edge-sharing KO6 octahedra. There are four shorter (2.88 Å) and two longer (2.90 Å) K–O bond lengths. Np3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Np–O bond lengths are 1.84 Å. C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Np3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C4+ atom.