Materials Data on SiGeN2O by Materials Project

Abstract

SiGeN2O crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Ge4+ is bonded to three N3- and one O2- atom to form GeN3O tetrahedra that share corners with two equivalent GeN3O tetrahedra and corners with five equivalent SiN3O tetrahedra. There is two shorter (1.84 Å) and one longer (1.85 Å) Ge–N bond length. The Ge–O bond length is 1.78 Å. Si4+ is bonded to three N3- and one O2- atom to form SiN3O tetrahedra that share corners with two equivalent SiN3O tetrahedra and corners with five equivalent GeN3O tetrahedra. There is two shorter (1.74 Å) and one longer (1.75 Å) Si–N bond length. The Si–O bond length is 1.64 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to two equivalent Ge4+ and one Si4+ atom. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Ge4+ and two equivalent Si4+ atoms. O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one Si4+ atom.