Materials Data on Rb3Ge7HO20 by Materials Project

Abstract

(Rb3Ge7O19)2H2O2 crystallizes in the trigonal R3m space group. The structure is three-dimensional and consists of three water molecules and one Rb3Ge7O19 framework. In the Rb3Ge7O19 framework, Rb is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Rb–O bond distances ranging from 3.10–3.30 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 51°. There is one shorter (1.76 Å) and three longer (1.77 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 (1.84 Å) and three longer (2.04 Å) Ge–O bond length. In the third Ge site, Ge is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Ge–O bond distances ranging from 1.80–2.07 Å. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Rb atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Rb atoms. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb and two Ge atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent Rb and two Ge atoms. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb and two Ge atoms. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to three Ge atoms.