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

Abstract

AsNO3NO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four AsNO3 clusters. In each AsNO3 cluster, As5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.64 Å) and one longer (1.97 Å) As–O bond length. N+1.50+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.39 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+1.50+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one N+1.50+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1182482
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; As(NO2)2; As-N-O
OSTI Identifier:
1711487
DOI:
https://doi.org/10.17188/1711487

Citation Formats

The Materials Project. Materials Data on As(NO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711487.
The Materials Project. Materials Data on As(NO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711487
The Materials Project. 2020. "Materials Data on As(NO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711487. https://www.osti.gov/servlets/purl/1711487. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1711487,
title = {Materials Data on As(NO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AsNO3NO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four AsNO3 clusters. In each AsNO3 cluster, As5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.64 Å) and one longer (1.97 Å) As–O bond length. N+1.50+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.39 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+1.50+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one N+1.50+ atom.},
doi = {10.17188/1711487},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}