Materials Data on Rb5NO5 by Materials Project

Abstract

RbRb4NO5 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one rubidium molecule and one Rb4NO5 sheet oriented in the (0, 1, 0) direction. In the Rb4NO5 sheet, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. There are one shorter (2.55 Å) and one longer (2.58 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.40 Å. N5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.41 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, one N5+, and one O2- atom. The O–O bond length is 1.39 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and one O2- atom. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Rb1+ atoms.