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Title: Materials Data on KOsBr4NO2 by Materials Project

Abstract

KOsNO2(Br)4 is Cubane-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of sixteen hydrobromic acid molecules and four KOsNO2 clusters. In each KOsNO2 cluster, K1+ is bonded in a distorted single-bond geometry to one O2- atom. The K–O bond length is 2.84 Å. Os4+ is bonded in a linear geometry to one N3- and one O2- atom. The Os–N bond length is 1.91 Å. The Os–O bond length is 1.75 Å. N3- is bonded in a linear geometry to one Os4+ and one O2- atom. The N–O bond length is 1.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Os4+ atom.

Publication Date:
Other Number(s):
mp-1106308
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; KOsBr4NO2; Br-K-N-O-Os
OSTI Identifier:
1738966
DOI:
https://doi.org/10.17188/1738966

Citation Formats

The Materials Project. Materials Data on KOsBr4NO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738966.
The Materials Project. Materials Data on KOsBr4NO2 by Materials Project. United States. doi:https://doi.org/10.17188/1738966
The Materials Project. 2020. "Materials Data on KOsBr4NO2 by Materials Project". United States. doi:https://doi.org/10.17188/1738966. https://www.osti.gov/servlets/purl/1738966. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1738966,
title = {Materials Data on KOsBr4NO2 by Materials Project},
author = {The Materials Project},
abstractNote = {KOsNO2(Br)4 is Cubane-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of sixteen hydrobromic acid molecules and four KOsNO2 clusters. In each KOsNO2 cluster, K1+ is bonded in a distorted single-bond geometry to one O2- atom. The K–O bond length is 2.84 Å. Os4+ is bonded in a linear geometry to one N3- and one O2- atom. The Os–N bond length is 1.91 Å. The Os–O bond length is 1.75 Å. N3- is bonded in a linear geometry to one Os4+ and one O2- atom. The N–O bond length is 1.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Os4+ atom.},
doi = {10.17188/1738966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}