Materials Data on Rb3Ru2N(Cl4O)2 by Materials Project

Rb3Ru2N(OCl4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.46 Å. In the second Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.40 Å) and four longer (3.42 Å) Rb–Cl bond lengths. Ru6+ is bonded to one N3-, one O2-, and four Cl1- atoms to form distorted corner-sharing RuNCl4O octahedra. The corner-sharing octahedral tilt angles are 0°. The Ru–N bond length is 1.88 Å. The Ru–O bond length is 1.73 Å. There are two shorter (2.40 Å) and two longer (2.41 Å) Ru–Cl bond lengths. N3- is bonded in a linear geometry to two equivalent Ru6+ atoms. O2- is bonded in a single-bond geometry to one Ru6+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Rb1+ and one Ru6+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Rb1+ and one Ru6+ atom.