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

Abstract

NaAl(NH2)4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of sixteen hydrogen molecules and two NaAlN4 sheets oriented in the (0, 0, 1) direction. In each NaAlN4 sheet, Na1+ is bonded in a 2-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.46–3.12 Å. Al3+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of Al–N bond distances ranging from 2.06–2.71 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to one Na1+, one Al3+, and one N3- atom. The N–N bond length is 1.14 Å. In the second N3- site, N3- is bonded in a distorted T-shaped geometry to one Na1+, one Al3+, and one N3- atom. The N–N bond length is 1.22 Å. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Al3+, and one N3- atom. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one N3- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-740733
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; NaAl(H2N)4; Al-H-N-Na
OSTI Identifier:
1287936
DOI:
10.17188/1287936

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaAl(H2N)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287936.
Persson, Kristin, & Project, Materials. Materials Data on NaAl(H2N)4 by Materials Project. United States. doi:10.17188/1287936.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaAl(H2N)4 by Materials Project". United States. doi:10.17188/1287936. https://www.osti.gov/servlets/purl/1287936. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1287936,
title = {Materials Data on NaAl(H2N)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaAl(NH2)4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of sixteen hydrogen molecules and two NaAlN4 sheets oriented in the (0, 0, 1) direction. In each NaAlN4 sheet, Na1+ is bonded in a 2-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.46–3.12 Å. Al3+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of Al–N bond distances ranging from 2.06–2.71 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to one Na1+, one Al3+, and one N3- atom. The N–N bond length is 1.14 Å. In the second N3- site, N3- is bonded in a distorted T-shaped geometry to one Na1+, one Al3+, and one N3- atom. The N–N bond length is 1.22 Å. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Al3+, and one N3- atom. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one N3- atom.},
doi = {10.17188/1287936},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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