DOE OSTI2020
Na(NO2)6RhN2 is Heusler structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of four ammonia molecules, two rhodium molecules, and two Na(NO2)6 clusters. In each Na(NO2)6 cluster, Na1+ is bonded in a cuboctahedral geometry to twelve O2- atoms. There are a spread of Na–O bond distances ranging from 2.88–2.93 Å. There are five inequivalent N+2.50+ sites. In the first N+2.50+ site, N+2.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.23 Å. In the second N+2.50+ site, N+2.50+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.23 Å. In the third N+2.50+ site, N+2.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.23 Å. In the fourth N+2.50+ site, N+2.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.23 Å. In the fifth N+2.50+ site, N+2.50+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.23 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Na1+ and one N+2.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Na1+ and one N+2.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Na1+ and one N+2.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Na1+ and one N+2.50+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Na1+ and one N+2.50+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Na1+ and one N+2.50+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one N+2.50+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one N+2.50+ atom.