U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on H16RhN5(ClO4)2 by Materials Project
Abstract
RhN5H16(ClO4)2 is Cotunnite structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight ClO4 clusters and four RhN5H16 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms. In each RhN5H16 cluster, Rh3+ is bonded in an octahedral geometry to five N+0.20- and one H1+ atom. There are a spread of Rh–N bond distances ranging from 2.10–2.27 Å. The Rh–H bond length is 1.56 Å. There are five inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a distorted trigonal non-coplanar geometry to one Rh3+ andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-721049
- 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; H16RhN5(ClO4)2; Cl-H-N-O-Rh
- OSTI Identifier:
- 1287299
- DOI:
- https://doi.org/10.17188/1287299
Citation Formats
The Materials Project. Materials Data on H16RhN5(ClO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287299.
The Materials Project. Materials Data on H16RhN5(ClO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1287299
The Materials Project. 2020.
"Materials Data on H16RhN5(ClO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1287299. https://www.osti.gov/servlets/purl/1287299. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1287299,
title = {Materials Data on H16RhN5(ClO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RhN5H16(ClO4)2 is Cotunnite structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight ClO4 clusters and four RhN5H16 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms. In each RhN5H16 cluster, Rh3+ is bonded in an octahedral geometry to five N+0.20- and one H1+ atom. There are a spread of Rh–N bond distances ranging from 2.10–2.27 Å. The Rh–H bond length is 1.56 Å. There are five inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- 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 second N+0.20- site, N+0.20- is bonded in a distorted trigonal non-coplanar geometry to one Rh3+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the third N+0.20- site, N+0.20- 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+0.20- site, N+0.20- 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 fifth N+0.20- site, N+0.20- 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 sixteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one Rh3+ atom.},
doi = {10.17188/1287299},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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