Materials Data on RbPNO2 by Materials Project

Abstract

RbPNO2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to two equivalent N2- and seven O2- atoms. There are one shorter (3.13 Å) and one longer (3.30 Å) Rb–N bond lengths. There are a spread of Rb–O bond distances ranging from 2.90–3.53 Å. P5+ is bonded to two equivalent N2- and two O2- atoms to form corner-sharing PN2O2 tetrahedra. There is one shorter (1.66 Å) and one longer (1.67 Å) P–N bond length. There is one shorter (1.51 Å) and one longer (1.53 Å) P–O bond length. N2- is bonded in a distorted bent 120 degrees geometry to two equivalent Rb1+ and two equivalent P5+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Rb1+ and one P5+ atom.