Materials Data on RbOsNO3 by Materials Project

Abstract

RbOsO3N crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to two equivalent N3- and six O2- atoms. There are one shorter (3.12 Å) and one longer (3.24 Å) Rb–N bond lengths. There are a spread of Rb–O bond distances ranging from 3.04–3.30 Å. Os8+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Os–N bond length is 1.70 Å. There is two shorter (1.76 Å) and one longer (1.77 Å) Os–O bond length. N3- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Os8+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one Os8+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Os8+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Os8+ atom.