Materials Data on H24Rh2(N4O5)3 by Materials Project
Rh2N8H24O3(NO3)4 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of sixteen nitric acid molecules and four Rh2N8H24O3 clusters. In each Rh2N8H24O3 cluster, there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to four N and two O2- atoms to form corner-sharing RhN4O2 octahedra. The corner-sharing octahedral tilt angles are 64°. There are a spread of Rh–N bond distances ranging from 2.09–2.12 Å. There is one shorter (1.96 Å) and one longer (1.99 Å) Rh–O bond length. In the second Rh3+ site, Rh3+ is bonded to four N and two O2- atoms to form corner-sharing RhN4O2 octahedra. The corner-sharing octahedral tilt angles are 64°. There are a spread of Rh–N bond distances ranging from 2.09–2.12 Å. There is one shorter (1.95 Å) and one longer (1.99 Å) Rh–O bond length. There are eight inequivalent N sites. In the first N site, N is bonded in a trigonal non-coplanar geometry to one Rh3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the second N site, N is bonded in a trigonal non-coplanar geometry to one Rh3+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. In the third N site, N is bonded in a distorted 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. In the fourth N site, N is bonded in a trigonal non-coplanar geometry to one Rh3+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the fifth N site, N is bonded in a trigonal non-coplanar geometry to one Rh3+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the sixth N site, N is bonded in a trigonal non-coplanar geometry to one Rh3+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. In the seventh N site, N is bonded in a distorted trigonal non-coplanar geometry to one Rh3+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. In the eighth N site, N is bonded in a trigonal non-coplanar geometry to one Rh3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are twenty-four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the eighteenth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the nineteenth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the twentieth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the twenty-first H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the twenty-second H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the twenty-third H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the twenty-fourth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Rh3+ and one O2- atom. The O–O bond length is 1.36 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rh3+ and one O2- atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Rh3+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1691358
- Report Number(s):
- mp-1197937
- Country of Publication:
- United States
- Language:
- English
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