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Title: Materials Data on KAlH4 by Materials Project

Abstract

KAlH4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent H1- atoms. There are four shorter (2.71 Å) and four longer (2.78 Å) K–H bond lengths. Al3+ is bonded in a tetrahedral geometry to four equivalent H1- atoms. All Al–H bond lengths are 1.63 Å. H1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Al3+ atom.

Publication Date:
Other Number(s):
mp-644486
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; KAlH4; Al-H-K
OSTI Identifier:
1280453
DOI:
https://doi.org/10.17188/1280453

Citation Formats

The Materials Project. Materials Data on KAlH4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280453.
The Materials Project. Materials Data on KAlH4 by Materials Project. United States. doi:https://doi.org/10.17188/1280453
The Materials Project. 2020. "Materials Data on KAlH4 by Materials Project". United States. doi:https://doi.org/10.17188/1280453. https://www.osti.gov/servlets/purl/1280453. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280453,
title = {Materials Data on KAlH4 by Materials Project},
author = {The Materials Project},
abstractNote = {KAlH4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent H1- atoms. There are four shorter (2.71 Å) and four longer (2.78 Å) K–H bond lengths. Al3+ is bonded in a tetrahedral geometry to four equivalent H1- atoms. All Al–H bond lengths are 1.63 Å. H1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Al3+ atom.},
doi = {10.17188/1280453},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}