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Title: Materials Data on KH8N3 by Materials Project

Abstract

KN3H8 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four N3- and four H1+ atoms. There are two shorter (2.83 Å) and two longer (2.93 Å) K–N bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) K–H bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a water-like geometry to two equivalent K1+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to one K1+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.04 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom.

Authors:
Publication Date:
Other Number(s):
mp-974267
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KH8N3; H-K-N
OSTI Identifier:
1314445
DOI:
https://doi.org/10.17188/1314445

Citation Formats

The Materials Project. Materials Data on KH8N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314445.
The Materials Project. Materials Data on KH8N3 by Materials Project. United States. doi:https://doi.org/10.17188/1314445
The Materials Project. 2020. "Materials Data on KH8N3 by Materials Project". United States. doi:https://doi.org/10.17188/1314445. https://www.osti.gov/servlets/purl/1314445. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1314445,
title = {Materials Data on KH8N3 by Materials Project},
author = {The Materials Project},
abstractNote = {KN3H8 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four N3- and four H1+ atoms. There are two shorter (2.83 Å) and two longer (2.93 Å) K–N bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) K–H bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a water-like geometry to two equivalent K1+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to one K1+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.04 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom.},
doi = {10.17188/1314445},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}