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Materials Data on Na3Rh(NO2)6 by Materials Project

(Na(NO2)2)3Rh crystallizes in the trigonal R-3m space group. The structure is three-dimensional and consists of three rhodium molecules and one Na(NO2)2 framework. In the Na(NO2)2 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of corner and face-sharing NaO6 octahedra. There are three shorter (2.36 Å) and three longer (2.41 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to twelve O2- atoms to form a mixture of corner and face-sharing NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. There are six shorter (2.66 Å) and six longer (2.95 Å) Na–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and one N3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on NaRh(N2O3)4 by Materials Project

Na(NO2)6RhN2 is Heusler structured and crystallizes in the cubic Fm-3 space group. The structure is zero-dimensional and consists of eight ammonia molecules, four rhodium molecules, and four Na(NO2)6 clusters. In each Na(NO2)6 cluster, Na1+ is bonded in a cuboctahedral geometry to twelve equivalent O2- atoms. All Na–O bond lengths are 2.89 Å. 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. O2- is bonded in a single-bond geometry to one Na1+ and one N+2.50+ atom.

36 MATERIALS SCIENCE↗

Materials Data on NaRh(N2O3)4 by Materials Project

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.

36 MATERIALS SCIENCE↗