U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoN6(ClO)2 by Materials Project
Abstract
CoN5Cl2NO2 is alpha Niobium phosphide structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four nitrous acid molecules and four CoN5Cl2 clusters. In each CoN5Cl2 cluster, Co2+ is bonded in a single-bond geometry to three N+0.67+ atoms. There is one shorter (1.59 Å) and two longer (1.95 Å) Co–N bond length. There are three inequivalent N+0.67+ sites. In the first N+0.67+ site, N+0.67+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.51 Å. In the second N+0.67+ site, N+0.67+ is bonded in a 2-coordinate geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.53 Å. In the third N+0.67+ site, N+0.67+ is bonded in a single-bond geometry to one Co2+ atom. Cl1- is bonded in a bent 120 degrees geometry to two N+0.67+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1181896
- 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; CoN6(ClO)2; Cl-Co-N-O
- OSTI Identifier:
- 1748239
- DOI:
- https://doi.org/10.17188/1748239
Citation Formats
The Materials Project. Materials Data on CoN6(ClO)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748239.
The Materials Project. Materials Data on CoN6(ClO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1748239
The Materials Project. 2020.
"Materials Data on CoN6(ClO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1748239. https://www.osti.gov/servlets/purl/1748239. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1748239,
title = {Materials Data on CoN6(ClO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoN5Cl2NO2 is alpha Niobium phosphide structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four nitrous acid molecules and four CoN5Cl2 clusters. In each CoN5Cl2 cluster, Co2+ is bonded in a single-bond geometry to three N+0.67+ atoms. There is one shorter (1.59 Å) and two longer (1.95 Å) Co–N bond length. There are three inequivalent N+0.67+ sites. In the first N+0.67+ site, N+0.67+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.51 Å. In the second N+0.67+ site, N+0.67+ is bonded in a 2-coordinate geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.53 Å. In the third N+0.67+ site, N+0.67+ is bonded in a single-bond geometry to one Co2+ atom. Cl1- is bonded in a bent 120 degrees geometry to two N+0.67+ atoms.},
doi = {10.17188/1748239},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}