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Title: Materials Data on KAu(CN)2 by Materials Project

Abstract

KAu(CN)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent N3- atoms to form edge-sharing KN6 octahedra. There are three shorter (2.83 Å) and three longer (2.90 Å) K–N bond lengths. In the second K1+ site, K1+ is bonded to six equivalent N3- atoms to form edge-sharing KN6 octahedra. All K–N bond lengths are 2.85 Å. Au1- is bonded in a linear geometry to two equivalent C3+ atoms. Both Au–C bond lengths are 1.99 Å. C3+ is bonded in a distorted single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded to three K1+ and one C3+ atom to form a mixture of distorted edge and corner-sharing NK3C tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-672348
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(CN)2; Au-C-K-N
OSTI Identifier:
1281858
DOI:
10.17188/1281858

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KAu(CN)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281858.
Persson, Kristin, & Project, Materials. Materials Data on KAu(CN)2 by Materials Project. United States. doi:10.17188/1281858.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KAu(CN)2 by Materials Project". United States. doi:10.17188/1281858. https://www.osti.gov/servlets/purl/1281858. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1281858,
title = {Materials Data on KAu(CN)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KAu(CN)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent N3- atoms to form edge-sharing KN6 octahedra. There are three shorter (2.83 Å) and three longer (2.90 Å) K–N bond lengths. In the second K1+ site, K1+ is bonded to six equivalent N3- atoms to form edge-sharing KN6 octahedra. All K–N bond lengths are 2.85 Å. Au1- is bonded in a linear geometry to two equivalent C3+ atoms. Both Au–C bond lengths are 1.99 Å. C3+ is bonded in a distorted single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded to three K1+ and one C3+ atom to form a mixture of distorted edge and corner-sharing NK3C tetrahedra.},
doi = {10.17188/1281858},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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