Materials Data on CoH6(NCl)2 by Materials Project
Abstract
CoH6(NCl)2 crystallizes in the orthorhombic Imma space group. The structure is one-dimensional and consists of two CoH6(NCl)2 ribbons oriented in the (1, 0, 0) direction. Co2+ is bonded to two equivalent N3- and four equivalent Cl1- atoms to form edge-sharing CoN2Cl4 octahedra. Both Co–N bond lengths are 2.09 Å. There are two shorter (2.52 Å) and two longer (2.54 Å) Co–Cl bond lengths. N3- is bonded in a distorted trigonal non-coplanar geometry to one Co2+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are two 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. Cl1- is bonded in an L-shaped geometry to two equivalent Co2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-643913
- 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; CoH6(NCl)2; Cl-Co-H-N
- OSTI Identifier:
- 1280381
- DOI:
- https://doi.org/10.17188/1280381
Citation Formats
The Materials Project. Materials Data on CoH6(NCl)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280381.
The Materials Project. Materials Data on CoH6(NCl)2 by Materials Project. United States. doi:https://doi.org/10.17188/1280381
The Materials Project. 2020.
"Materials Data on CoH6(NCl)2 by Materials Project". United States. doi:https://doi.org/10.17188/1280381. https://www.osti.gov/servlets/purl/1280381. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1280381,
title = {Materials Data on CoH6(NCl)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoH6(NCl)2 crystallizes in the orthorhombic Imma space group. The structure is one-dimensional and consists of two CoH6(NCl)2 ribbons oriented in the (1, 0, 0) direction. Co2+ is bonded to two equivalent N3- and four equivalent Cl1- atoms to form edge-sharing CoN2Cl4 octahedra. Both Co–N bond lengths are 2.09 Å. There are two shorter (2.52 Å) and two longer (2.54 Å) Co–Cl bond lengths. N3- is bonded in a distorted trigonal non-coplanar geometry to one Co2+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are two 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. Cl1- is bonded in an L-shaped geometry to two equivalent Co2+ atoms.},
doi = {10.17188/1280381},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}