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Title: Materials Data on KAu(NO3)4 by Materials Project

Abstract

KAu(NO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.06 Å. Au3+ is bonded in a square co-planar geometry to four O2- atoms. All Au–O bond lengths are 2.05 Å. 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 two shorter (1.23 Å) and one longer (1.36 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.37 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one 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 bent 120 degrees geometry to one Au3+ andmore » one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Au3+, and one N5+ atom.« less

Publication Date:
Other Number(s):
mp-555085
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; KAu(NO3)4; Au-K-N-O
OSTI Identifier:
1268619
DOI:
10.17188/1268619

Citation Formats

The Materials Project. Materials Data on KAu(NO3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268619.
The Materials Project. Materials Data on KAu(NO3)4 by Materials Project. United States. doi:10.17188/1268619.
The Materials Project. 2020. "Materials Data on KAu(NO3)4 by Materials Project". United States. doi:10.17188/1268619. https://www.osti.gov/servlets/purl/1268619. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1268619,
title = {Materials Data on KAu(NO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {KAu(NO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.06 Å. Au3+ is bonded in a square co-planar geometry to four O2- atoms. All Au–O bond lengths are 2.05 Å. 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 two shorter (1.23 Å) and one longer (1.36 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.37 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one 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 bent 120 degrees geometry to one Au3+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Au3+, and one N5+ atom.},
doi = {10.17188/1268619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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