U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoH17C(NO)8 by Materials Project
Abstract
CoCH17(N3O)2(NO3)2 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of eight nitric acid molecules and four CoCH17(N3O)2 clusters. In each CoCH17(N3O)2 cluster, Co3+ is bonded in an octahedral geometry to five N1- and one O2- atom. There are a spread of Co–N bond distances ranging from 2.11–2.15 Å. The Co–O bond length is 1.93 Å. C4+ is bonded in a trigonal planar geometry to one N1- and two O2- atoms. The C–N bond length is 1.37 Å. There is one shorter (1.26 Å) and one longer (1.32 Å) C–O bond length. There are six inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the second N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the third N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-735481
- 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; CoH17C(NO)8; C-Co-H-N-O
- OSTI Identifier:
- 1287790
- DOI:
- https://doi.org/10.17188/1287790
Citation Formats
The Materials Project. Materials Data on CoH17C(NO)8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287790.
The Materials Project. Materials Data on CoH17C(NO)8 by Materials Project. United States. doi:https://doi.org/10.17188/1287790
The Materials Project. 2020.
"Materials Data on CoH17C(NO)8 by Materials Project". United States. doi:https://doi.org/10.17188/1287790. https://www.osti.gov/servlets/purl/1287790. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1287790,
title = {Materials Data on CoH17C(NO)8 by Materials Project},
author = {The Materials Project},
abstractNote = {CoCH17(N3O)2(NO3)2 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of eight nitric acid molecules and four CoCH17(N3O)2 clusters. In each CoCH17(N3O)2 cluster, Co3+ is bonded in an octahedral geometry to five N1- and one O2- atom. There are a spread of Co–N bond distances ranging from 2.11–2.15 Å. The Co–O bond length is 1.93 Å. C4+ is bonded in a trigonal planar geometry to one N1- and two O2- atoms. The C–N bond length is 1.37 Å. There is one shorter (1.26 Å) and one longer (1.32 Å) C–O bond length. There are six inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the second N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the third N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the fourth N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the fifth N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Co3+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the sixth N1- site, N1- is bonded in a distorted trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.01 Å) and one longer (1.02 Å) N–H bond length. There are seventeen 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. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the seventeenth 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 distorted bent 120 degrees geometry to one Co3+ and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1287790},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.