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

Abstract

KCu(CN)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.82–3.33 Å. Cu1+ is bonded in a distorted trigonal non-coplanar geometry to two C2+ and one N3- atom. There is one shorter (1.90 Å) and one longer (1.92 Å) Cu–C bond length. The Cu–N bond length is 2.00 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one Cu1+ and one N3- atom. The C–N bond length is 1.19 Å. In the second C2+ site, C2+ is bonded in a distorted linear geometry to one Cu1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to three equivalent K1+, one Cu1+, and one C2+ atom.

Publication Date:
Other Number(s):
mp-6802
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; KCu(CN)2; C-Cu-K-N
OSTI Identifier:
1272604
DOI:
10.17188/1272604

Citation Formats

The Materials Project. Materials Data on KCu(CN)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272604.
The Materials Project. Materials Data on KCu(CN)2 by Materials Project. United States. doi:10.17188/1272604.
The Materials Project. 2020. "Materials Data on KCu(CN)2 by Materials Project". United States. doi:10.17188/1272604. https://www.osti.gov/servlets/purl/1272604. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1272604,
title = {Materials Data on KCu(CN)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KCu(CN)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.82–3.33 Å. Cu1+ is bonded in a distorted trigonal non-coplanar geometry to two C2+ and one N3- atom. There is one shorter (1.90 Å) and one longer (1.92 Å) Cu–C bond length. The Cu–N bond length is 2.00 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one Cu1+ and one N3- atom. The C–N bond length is 1.19 Å. In the second C2+ site, C2+ is bonded in a distorted linear geometry to one Cu1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to three equivalent K1+, one Cu1+, and one C2+ atom.},
doi = {10.17188/1272604},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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