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Title: Materials Data on CsAl(H2N)4 by Materials Project

Abstract

CsAl(NH2)4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to four equivalent N3- and eight H1+ atoms. All Cs–N bond lengths are 3.35 Å. There are four shorter (3.21 Å) and four longer (3.33 Å) Cs–H bond lengths. Al3+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Al–N bond lengths are 1.87 Å. N3- is bonded in a 3-coordinate geometry to one Cs1+, one Al3+, and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one N3- atom.

Publication Date:
Other Number(s):
mp-634446
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; CsAl(H2N)4; Al-Cs-H-N
OSTI Identifier:
1279465
DOI:
10.17188/1279465

Citation Formats

The Materials Project. Materials Data on CsAl(H2N)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279465.
The Materials Project. Materials Data on CsAl(H2N)4 by Materials Project. United States. doi:10.17188/1279465.
The Materials Project. 2020. "Materials Data on CsAl(H2N)4 by Materials Project". United States. doi:10.17188/1279465. https://www.osti.gov/servlets/purl/1279465. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1279465,
title = {Materials Data on CsAl(H2N)4 by Materials Project},
author = {The Materials Project},
abstractNote = {CsAl(NH2)4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to four equivalent N3- and eight H1+ atoms. All Cs–N bond lengths are 3.35 Å. There are four shorter (3.21 Å) and four longer (3.33 Å) Cs–H bond lengths. Al3+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Al–N bond lengths are 1.87 Å. N3- is bonded in a 3-coordinate geometry to one Cs1+, one Al3+, and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one N3- atom.},
doi = {10.17188/1279465},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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