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Title: Materials Data on CoSiN5ClF6 by Materials Project

Abstract

(CoSiClF6)2(N2)5 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two nitrogen gas molecules, two triazane molecules, and two CoSiClF6 clusters. In each CoSiClF6 cluster, Co2+ is bonded in a 3-coordinate geometry to one Cl1- and two equivalent F1- atoms. The Co–Cl bond length is 2.14 Å. Both Co–F bond lengths are 1.91 Å. Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.65–1.91 Å. Cl1- is bonded in a distorted single-bond geometry to one Co2+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the third F1- site, F1- is bonded in a water-like geometry to one Co2+ and one Si4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom.

Publication Date:
Other Number(s):
mp-1193831
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; CoSiN5ClF6; Cl-Co-F-N-Si
OSTI Identifier:
1677859
DOI:
https://doi.org/10.17188/1677859

Citation Formats

The Materials Project. Materials Data on CoSiN5ClF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677859.
The Materials Project. Materials Data on CoSiN5ClF6 by Materials Project. United States. doi:https://doi.org/10.17188/1677859
The Materials Project. 2020. "Materials Data on CoSiN5ClF6 by Materials Project". United States. doi:https://doi.org/10.17188/1677859. https://www.osti.gov/servlets/purl/1677859. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1677859,
title = {Materials Data on CoSiN5ClF6 by Materials Project},
author = {The Materials Project},
abstractNote = {(CoSiClF6)2(N2)5 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two nitrogen gas molecules, two triazane molecules, and two CoSiClF6 clusters. In each CoSiClF6 cluster, Co2+ is bonded in a 3-coordinate geometry to one Cl1- and two equivalent F1- atoms. The Co–Cl bond length is 2.14 Å. Both Co–F bond lengths are 1.91 Å. Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.65–1.91 Å. Cl1- is bonded in a distorted single-bond geometry to one Co2+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the third F1- site, F1- is bonded in a water-like geometry to one Co2+ and one Si4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom.},
doi = {10.17188/1677859},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}