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Title: Materials Data on KUN3O11 by Materials Project

Abstract

KUN3O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form distorted corner-sharing KO12 cuboctahedra. There are a spread of K–O bond distances ranging from 2.93–3.32 Å. U6+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (1.80 Å) and two longer (2.49 Å) U–O bond lengths. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.29 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.29 Å) N–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N5+ atom. In the fourthmore » O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one U6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N5+ atom.« less

Publication Date:
Other Number(s):
mp-554783
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; KUN3O11; K-N-O-U
OSTI Identifier:
1268101
DOI:
10.17188/1268101

Citation Formats

The Materials Project. Materials Data on KUN3O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268101.
The Materials Project. Materials Data on KUN3O11 by Materials Project. United States. doi:10.17188/1268101.
The Materials Project. 2020. "Materials Data on KUN3O11 by Materials Project". United States. doi:10.17188/1268101. https://www.osti.gov/servlets/purl/1268101. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1268101,
title = {Materials Data on KUN3O11 by Materials Project},
author = {The Materials Project},
abstractNote = {KUN3O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form distorted corner-sharing KO12 cuboctahedra. There are a spread of K–O bond distances ranging from 2.93–3.32 Å. U6+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (1.80 Å) and two longer (2.49 Å) U–O bond lengths. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.29 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.29 Å) N–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one U6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N5+ atom.},
doi = {10.17188/1268101},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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