Materials Data on Ge7HN3O20 by Materials Project

Abstract

(Ge7HO20)2(N2)3 crystallizes in the cubic P-43m space group. The structure is three-dimensional and consists of three ammonia molecules and one Ge7HO20 framework. In the Ge7HO20 framework, there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent OO4 trigonal pyramids. All Ge–O bond lengths are 1.76 Å. In the second Ge4+ site, Ge4+ is bonded in a 6-coordinate geometry to six O2- atoms. There is three shorter (1.81 Å) and three longer (2.08 Å) Ge–O bond length. H1+ is bonded to four equivalent O2- atoms to form HO4 tetrahedra that share corners with four equivalent OO4 trigonal pyramids. All H–O bond lengths are 1.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four O2- atoms to form OO4 trigonal pyramids that share a cornercorner with one HO4 tetrahedra and corners with three equivalent GeO4 tetrahedra. There are one shorter (2.61 Å) and three longer (3.07 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ and one O2- atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ge4+, one H1+, and one O2- atom.