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Title: Materials Data on KAlN4 by Materials Project

Abstract

KAlN4 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.86–3.02 Å. Al3+ is bonded in a tetrahedral geometry to four N1- atoms. All Al–N bond lengths are 1.92 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Al3+ atom. In the second N1- site, N1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Al3+ atom.

Publication Date:
Other Number(s):
mp-1103524
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; KAlN4; Al-K-N
OSTI Identifier:
1680206
DOI:
https://doi.org/10.17188/1680206

Citation Formats

The Materials Project. Materials Data on KAlN4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680206.
The Materials Project. Materials Data on KAlN4 by Materials Project. United States. doi:https://doi.org/10.17188/1680206
The Materials Project. 2020. "Materials Data on KAlN4 by Materials Project". United States. doi:https://doi.org/10.17188/1680206. https://www.osti.gov/servlets/purl/1680206. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680206,
title = {Materials Data on KAlN4 by Materials Project},
author = {The Materials Project},
abstractNote = {KAlN4 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of K–N bond distances ranging from 2.86–3.02 Å. Al3+ is bonded in a tetrahedral geometry to four N1- atoms. All Al–N bond lengths are 1.92 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Al3+ atom. In the second N1- site, N1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Al3+ atom.},
doi = {10.17188/1680206},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}