Materials Data on K3Ge7HO20 by Materials Project

Abstract

(K3Ge7HO19)2O2 crystallizes in the trigonal R3m space group. The structure is three-dimensional and consists of three water molecules and one K3Ge7HO19 framework. In the K3Ge7HO19 framework, K is bonded in a 6-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.88–3.41 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There is three shorter (1.77 Å) and one longer (1.78 Å) Ge–O bond length. In the second Ge site, Ge is bonded to six O atoms to form corner-sharing GeO6 octahedra. There is three shorter (1.85 Å) and three longer (2.04 Å) Ge–O bond length. In the third Ge site, Ge is bonded in a 7-coordinate geometry to one H and six O atoms. The Ge–H bond length is 1.99 Å. There are a spread of Ge–O bond distances ranging from 1.80–2.24 Å. H is bonded in a single-bond geometry to three equivalent Ge and one O atom. The H–O bond length is 0.98 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent K atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent K and two Ge atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent K and two Ge atoms. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent K and two Ge atoms. In the fifth O site, O is bonded in a single-bond geometry to three equivalent Ge and one H atom. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Ge atoms.