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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on H22RhC3(N3O4)2 by Materials Project

RhN6H18(CO2)3(H2O)2 crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of twelve formic acid molecules, eight water molecules, and four RhN6H18 clusters. In each RhN6H18 cluster, Rh4+ is bonded in an octahedral geometry to six N3- atoms. There are two shorter (2.10 Å) and four longer (2.11 Å) Rh–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Rh4+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Rh4+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H12RhC8NO6 by Materials Project

Rh(C2O3)2N(CH3)4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and four Rh(C2O3)2 clusters. In each Rh(C2O3)2 cluster, Rh3+ is bonded in a rectangular see-saw-like geometry to two C and two O2- atoms. Both Rh–C bond lengths are 1.85 Å. Both Rh–O bond lengths are 2.08 Å. There are four inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) C–O bond length. In the second C site, C is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the third C site, C is bonded in a linear geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C site, C is bonded in a distorted linear geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rh3+ and one C atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rh3+ and one C atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H9RhC5NO5 by Materials Project

RhC5NH9O5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one RhC5NH9O5 cluster. Rh4+ is bonded in a square pyramidal geometry to five O2- atoms. There are a spread of Rh–O bond distances ranging from 2.06–2.31 Å. There are five inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. In the second C site, C is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. In the third C site, C is bonded in a trigonal planar geometry to one N3-, one H1+, and one O2- atom. The C–N bond length is 1.34 Å. The C–H bond length is 1.11 Å. The C–O bond length is 1.25 Å. In the fourth C site, C is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.46 Å. All C–H bond lengths are 1.10 Å. In the fifth C site, C is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.46 Å. All C–H bond lengths are 1.10 Å. N3- is bonded in a trigonal planar geometry to three C atoms. There are nine inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Rh4+ and one C atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Rh4+ and one C atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Rh4+ and one C atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Rh4+ and one C atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rh4+ and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H18RhC4N7O8 by Materials Project

RhH6(N3O4)2N(CH3)4 is Copper structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two tetramethylammonium molecules and two RhH6(N3O4)2 clusters. In each RhH6(N3O4)2 cluster, Rh3+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (2.08 Å) and two longer (2.09 Å) Rh–N bond lengths. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Rh3+ and two O2- atoms. Both N–O bond lengths are 1.25 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Rh3+ and two O2- atoms. Both N–O bond lengths are 1.25 Å. In the third N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Rh3+ and three H1+ atoms. There is two shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗