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Title: Materials Data on H22RhC3(N3O4)2 by Materials Project

Abstract

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 bondedmore » in a single-bond geometry to one N3- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-600156
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; H22RhC3(N3O4)2; C-H-N-O-Rh
OSTI Identifier:
1183760
DOI:
https://doi.org/10.17188/1183760

Citation Formats

The Materials Project. Materials Data on H22RhC3(N3O4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1183760.
The Materials Project. Materials Data on H22RhC3(N3O4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1183760
The Materials Project. 2020. "Materials Data on H22RhC3(N3O4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1183760. https://www.osti.gov/servlets/purl/1183760. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1183760,
title = {Materials Data on H22RhC3(N3O4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1183760},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}