U.S. Department of EnergyOffice of Scientific and Technical Information
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:
- Publication Date:
- Other Number(s):
- mp-740733
- 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; NaAl(H2N)4; Al-H-N-Na
- OSTI Identifier:
- 1287936
- DOI:
- https://doi.org/10.17188/1287936
Citation Formats
The Materials Project. Materials Data on NaAl(H2N)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287936.
The Materials Project. Materials Data on NaAl(H2N)4 by Materials Project. United States. doi:https://doi.org/10.17188/1287936
The Materials Project. 2020.
"Materials Data on NaAl(H2N)4 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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}
}