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Title: Materials Data on KOsNO3 by Materials Project

Abstract

KOsNO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to two N3- and six O2- atoms. There are one shorter (2.96 Å) and one longer (3.02 Å) K–N bond lengths. There are a spread of K–O bond distances ranging from 2.89–2.98 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to two N3- and six O2- atoms. There are one shorter (2.94 Å) and one longer (3.03 Å) K–N bond lengths. There are a spread of K–O bond distances ranging from 2.90–2.97 Å. There are two inequivalent Os8+ sites. In the first Os8+ site, Os8+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Os–N bond length is 1.70 Å. There is one shorter (1.76 Å) and two longer (1.77 Å) Os–O bond length. In the second Os8+ site, Os8+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Os–N bond length is 1.71 Å. There is one shorter (1.76 Å) and two longer (1.77 Å) Os–O bond length. There are two inequivalent N3- sites.more » In the first N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom.« less

Publication Date:
Other Number(s):
mp-1223372
DOE Contract Number:  
AC02-05CH11231
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; K-N-O-Os; KOsNO3; crystal structure
OSTI Identifier:
1698626
DOI:
https://doi.org/10.17188/1698626

Citation Formats

Materials Data on KOsNO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698626.
Materials Data on KOsNO3 by Materials Project. United States. doi:https://doi.org/10.17188/1698626
2020. "Materials Data on KOsNO3 by Materials Project". United States. doi:https://doi.org/10.17188/1698626. https://www.osti.gov/servlets/purl/1698626. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1698626,
title = {Materials Data on KOsNO3 by Materials Project},
abstractNote = {KOsNO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to two N3- and six O2- atoms. There are one shorter (2.96 Å) and one longer (3.02 Å) K–N bond lengths. There are a spread of K–O bond distances ranging from 2.89–2.98 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to two N3- and six O2- atoms. There are one shorter (2.94 Å) and one longer (3.03 Å) K–N bond lengths. There are a spread of K–O bond distances ranging from 2.90–2.97 Å. There are two inequivalent Os8+ sites. In the first Os8+ site, Os8+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Os–N bond length is 1.70 Å. There is one shorter (1.76 Å) and two longer (1.77 Å) Os–O bond length. In the second Os8+ site, Os8+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Os–N bond length is 1.71 Å. There is one shorter (1.76 Å) and two longer (1.77 Å) Os–O bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom.},
doi = {10.17188/1698626},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}