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Title: Materials Data on K3YN6 by Materials Project

Abstract

K3YN6 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.92–3.34 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.87–3.34 Å. Y3+ is bonded in an octahedral geometry to six N1- atoms. There are three shorter (2.27 Å) and three longer (2.31 Å) Y–N bond lengths. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 5-coordinate geometry to four K1+ and one Y3+ atom. In the second N1- site, N1- is bonded in a 5-coordinate geometry to four K1+ and one Y3+ atom.

Publication Date:
Other Number(s):
mp-1189218
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; K3YN6; K-N-Y
OSTI Identifier:
1662953
DOI:
https://doi.org/10.17188/1662953

Citation Formats

The Materials Project. Materials Data on K3YN6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662953.
The Materials Project. Materials Data on K3YN6 by Materials Project. United States. doi:https://doi.org/10.17188/1662953
The Materials Project. 2020. "Materials Data on K3YN6 by Materials Project". United States. doi:https://doi.org/10.17188/1662953. https://www.osti.gov/servlets/purl/1662953. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1662953,
title = {Materials Data on K3YN6 by Materials Project},
author = {The Materials Project},
abstractNote = {K3YN6 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.92–3.34 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.87–3.34 Å. Y3+ is bonded in an octahedral geometry to six N1- atoms. There are three shorter (2.27 Å) and three longer (2.31 Å) Y–N bond lengths. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 5-coordinate geometry to four K1+ and one Y3+ atom. In the second N1- site, N1- is bonded in a 5-coordinate geometry to four K1+ and one Y3+ atom.},
doi = {10.17188/1662953},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}