Materials Data on RbMoN2 by Materials Project
RbMoN2 crystallizes in the orthorhombic Pbca 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 N3- atoms. There are a spread of Rb–N bond distances ranging from 3.20–3.59 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 3.09–3.51 Å. There are two inequivalent Mo5+ sites. In the first Mo5+ site, Mo5+ is bonded to four N3- atoms to form corner-sharing MoN4 tetrahedra. All Mo–N bond lengths are 1.90 Å. In the second Mo5+ site, Mo5+ is bonded to four N3- atoms to form corner-sharing MoN4 tetrahedra. There are a spread of Mo–N bond distances ranging from 1.89–1.92 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Mo5+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four Rb1+ and two Mo5+ atoms. In the third N3- site, N3- is bonded in a distorted linear geometry to four Rb1+ and two Mo5+ atoms. In the fourth N3- site, N3- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Mo5+ atoms.