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 three-dimensional and consists of four ammonia molecules, four hydrogen molecules, and one NaAl(NH)3 framework. In the NaAl(NH)3 framework, Na1+ is bonded in a 3-coordinate geometry to two N3- and one H1+ atom. There are one shorter (2.35 Å) and one longer (2.41 Å) Na–N bond lengths. The Na–H bond length is 2.16 Å. Al3+ is bonded in a distorted T-shaped geometry to two equivalent N3- and one H1+ atom. There are one shorter (2.04 Å) and one longer (2.06 Å) Al–N bond lengths. The Al–H bond length is 1.69 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Al3+ and one H1+ atom. The N–H bond length is 1.06 Å. In the second N3- site, N3- is bonded in a 2-coordinate geometry to one Na1+, one N3-, and one H1+ atom. The N–N bond length is 1.23 Å. The N–H bond length is 1.81 Å. In the third N3- site, N3- is bonded in a distorted single-bond geometry to one Na1+, one N3-, and one H1+ atom. The N–H bond length is 1.11 Å. Theremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-706590
- 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:
- 1286218
- DOI:
- https://doi.org/10.17188/1286218
Citation Formats
The Materials Project. Materials Data on NaAl(H2N)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1286218.
The Materials Project. Materials Data on NaAl(H2N)4 by Materials Project. United States. doi:https://doi.org/10.17188/1286218
The Materials Project. 2020.
"Materials Data on NaAl(H2N)4 by Materials Project". United States. doi:https://doi.org/10.17188/1286218. https://www.osti.gov/servlets/purl/1286218. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1286218,
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 three-dimensional and consists of four ammonia molecules, four hydrogen molecules, and one NaAl(NH)3 framework. In the NaAl(NH)3 framework, Na1+ is bonded in a 3-coordinate geometry to two N3- and one H1+ atom. There are one shorter (2.35 Å) and one longer (2.41 Å) Na–N bond lengths. The Na–H bond length is 2.16 Å. Al3+ is bonded in a distorted T-shaped geometry to two equivalent N3- and one H1+ atom. There are one shorter (2.04 Å) and one longer (2.06 Å) Al–N bond lengths. The Al–H bond length is 1.69 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Al3+ and one H1+ atom. The N–H bond length is 1.06 Å. In the second N3- site, N3- is bonded in a 2-coordinate geometry to one Na1+, one N3-, and one H1+ atom. The N–N bond length is 1.23 Å. The N–H bond length is 1.81 Å. In the third N3- site, N3- is bonded in a distorted single-bond geometry to one Na1+, one N3-, and one H1+ atom. The N–H bond length is 1.11 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two N3- atoms. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a water-like geometry to one Na1+ and one Al3+ atom.},
doi = {10.17188/1286218},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}