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Title: Materials Data on Cr(NO2)2 by Materials Project

Abstract

(CrNO4)2N2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four ammonia molecules and four CrNO4 clusters. In each CrNO4 cluster, Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.61–2.19 Å. N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Cr6+ and one N1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1181825
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; Cr(NO2)2; Cr-N-O
OSTI Identifier:
1683618
DOI:
https://doi.org/10.17188/1683618

Citation Formats

The Materials Project. Materials Data on Cr(NO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683618.
The Materials Project. Materials Data on Cr(NO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1683618
The Materials Project. 2020. "Materials Data on Cr(NO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1683618. https://www.osti.gov/servlets/purl/1683618. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1683618,
title = {Materials Data on Cr(NO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(CrNO4)2N2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four ammonia molecules and four CrNO4 clusters. In each CrNO4 cluster, Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.61–2.19 Å. N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Cr6+ and one N1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.},
doi = {10.17188/1683618},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}