skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on K2Zn(CN)4 by Materials Project

Abstract

K2Zn(CN)4 crystallizes in the trigonal R-3c space group. The structure is three-dimensional and consists of one K(CN)2 framework and twelve zinc molecules. In the K(CN)2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six N3- atoms to form distorted edge-sharing KN6 pentagonal pyramids. There are a spread of K–N bond distances ranging from 2.87–3.02 Å. 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 2.86 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C2+ atom. In the second N3- site, N3- is bonded to three equivalent K1+ and one C2+ atom to form distorted corner-sharing NK3C tetrahedra.

Publication Date:
Other Number(s):
mp-620569
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; K2Zn(CN)4; C-K-N-Zn
OSTI Identifier:
1278029
DOI:
10.17188/1278029

Citation Formats

The Materials Project. Materials Data on K2Zn(CN)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278029.
The Materials Project. Materials Data on K2Zn(CN)4 by Materials Project. United States. doi:10.17188/1278029.
The Materials Project. 2020. "Materials Data on K2Zn(CN)4 by Materials Project". United States. doi:10.17188/1278029. https://www.osti.gov/servlets/purl/1278029. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1278029,
title = {Materials Data on K2Zn(CN)4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Zn(CN)4 crystallizes in the trigonal R-3c space group. The structure is three-dimensional and consists of one K(CN)2 framework and twelve zinc molecules. In the K(CN)2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six N3- atoms to form distorted edge-sharing KN6 pentagonal pyramids. There are a spread of K–N bond distances ranging from 2.87–3.02 Å. 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 2.86 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C2+ atom. In the second N3- site, N3- is bonded to three equivalent K1+ and one C2+ atom to form distorted corner-sharing NK3C tetrahedra.},
doi = {10.17188/1278029},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: