Materials Data on Si3H9N by Materials Project

Abstract

Si3NH9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two silanamine, n,n-disilyl- molecules. there are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. In the second Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. In the third Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. N3- is bonded in a trigonal planar geometry to three Si+1.33- atoms. There are nine inequivalent H+0.78+ sites. In the first H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the second H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the third H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the fourth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the fifth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the sixth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the seventh H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the eighth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the ninth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom.