U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoH15N7ClO5 by Materials Project
Abstract
CoH5(N2O)2(NH)2(H2)2HNO2H2OHCl crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four hydrazine molecules; four hydrochloric acid molecules; eight hydrogen molecules; four hydroxylamine, n-hydroxy- molecules; four water molecules; and four CoH5(N2O)2 clusters. In each CoH5(N2O)2 cluster, Co3+ is bonded in a rectangular see-saw-like geometry to four N1- atoms. There are a spread of Co–N bond distances ranging from 1.75–2.02 Å. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a trigonal planar geometry to one Co3+ and two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. In the second N1- site, N1- is bonded in a distorted trigonal planar geometry to one Co3+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the third N1- site, N1- is bonded in a bent 150 degrees geometry to one Co3+ and one H1+ atom. The N–H bond length is 1.03 Å. In the fourth N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+more »
- Publication Date:
- Other Number(s):
- mp-744737
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-Co-H-N-O; CoH15N7ClO5; crystal structure
- OSTI Identifier:
- 1288317
- DOI:
- https://doi.org/10.17188/1288317
Citation Formats
Materials Data on CoH15N7ClO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288317.
Materials Data on CoH15N7ClO5 by Materials Project. United States. doi:https://doi.org/10.17188/1288317
2020.
"Materials Data on CoH15N7ClO5 by Materials Project". United States. doi:https://doi.org/10.17188/1288317. https://www.osti.gov/servlets/purl/1288317. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1288317,
title = {Materials Data on CoH15N7ClO5 by Materials Project},
abstractNote = {CoH5(N2O)2(NH)2(H2)2HNO2H2OHCl crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four hydrazine molecules; four hydrochloric acid molecules; eight hydrogen molecules; four hydroxylamine, n-hydroxy- molecules; four water molecules; and four CoH5(N2O)2 clusters. In each CoH5(N2O)2 cluster, Co3+ is bonded in a rectangular see-saw-like geometry to four N1- atoms. There are a spread of Co–N bond distances ranging from 1.75–2.02 Å. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a trigonal planar geometry to one Co3+ and two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. In the second N1- site, N1- is bonded in a distorted trigonal planar geometry to one Co3+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the third N1- site, N1- is bonded in a bent 150 degrees geometry to one Co3+ and one H1+ atom. The N–H bond length is 1.03 Å. In the fourth N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N1- atom.},
doi = {10.17188/1288317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}