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Title: Materials Data on CoN5Cl3 by Materials Project

Abstract

CoN5Cl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four CoN5Cl3 ribbons oriented in the (1, 0, 0) direction. Co2+ is bonded in a distorted tetrahedral geometry to four N+0.20+ atoms. There are a spread of Co–N bond distances ranging from 1.62–1.89 Å. There are four inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom. In the second N+0.20+ site, N+0.20+ is bonded in a water-like geometry to two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.71 Å. In the third N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.45 Å. In the fourth N+0.20+ site, N+0.20+ is bonded in a distorted bent 120 degrees geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.54 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two N+0.20+ atoms.

Publication Date:
Other Number(s):
mp-1197510
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CoN5Cl3; Cl-Co-N
OSTI Identifier:
1676864
DOI:
https://doi.org/10.17188/1676864

Citation Formats

The Materials Project. Materials Data on CoN5Cl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676864.
The Materials Project. Materials Data on CoN5Cl3 by Materials Project. United States. doi:https://doi.org/10.17188/1676864
The Materials Project. 2020. "Materials Data on CoN5Cl3 by Materials Project". United States. doi:https://doi.org/10.17188/1676864. https://www.osti.gov/servlets/purl/1676864. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1676864,
title = {Materials Data on CoN5Cl3 by Materials Project},
author = {The Materials Project},
abstractNote = {CoN5Cl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four CoN5Cl3 ribbons oriented in the (1, 0, 0) direction. Co2+ is bonded in a distorted tetrahedral geometry to four N+0.20+ atoms. There are a spread of Co–N bond distances ranging from 1.62–1.89 Å. There are four inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom. In the second N+0.20+ site, N+0.20+ is bonded in a water-like geometry to two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.71 Å. In the third N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.45 Å. In the fourth N+0.20+ site, N+0.20+ is bonded in a distorted bent 120 degrees geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.54 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two N+0.20+ atoms.},
doi = {10.17188/1676864},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}