Materials Data on KV3Ge2O9 by Materials Project

Abstract

KV3Ge2O9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All K–O bond lengths are 2.86 Å. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent GeO4 tetrahedra and edges with four equivalent VO6 octahedra. There are two shorter (1.96 Å) and four longer (2.11 Å) V–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with six equivalent VO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There is one shorter (1.76 Å) and three longer (1.78 Å) Ge–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, two equivalent V3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V3+ atoms.