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.