Materials Data on GeH10Se3N4 by Materials Project

Abstract

GeSe3(NH3)2(NH2)2 crystallizes in the tetragonal I4_1cd space group. The structure is zero-dimensional and consists of thirty-two ammonia molecules, thirty-two ammonia molecules, and eight GeSe3 clusters. In each GeSe3 cluster, there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four Se2- atoms to form edge-sharing GeSe4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.45 Å) Ge–Se bond lengths. In the second Ge4+ site, Ge4+ is bonded to four Se2- atoms to form edge-sharing GeSe4 tetrahedra. There are two shorter (2.35 Å) and two longer (2.44 Å) Ge–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a single-bond geometry to one Ge4+ atom. In the second Se2- site, Se2- is bonded in an L-shaped geometry to two Ge4+ atoms. In the third Se2- site, Se2- is bonded in a distorted single-bond geometry to one Ge4+ atom.