Materials Data on K2Ge8O17 by Materials Project

Abstract

K2Ge8O17 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.81–2.90 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.02 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to five O2- atoms to form GeO5 trigonal bipyramids that share corners with three GeO4 tetrahedra and an edgeedge with one GeO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.83–1.92 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three GeO4 tetrahedra and a cornercorner with one GeO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.75–1.78 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form distorted GeO4 tetrahedra that share corners with three GeO4 tetrahedra and a cornercorner with one GeO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.77–1.80 Å. In the fourth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three GeO4 tetrahedra and a cornercorner with one GeO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.76–1.78 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two Ge4+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Ge4+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two Ge4+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+ and two equivalent Ge4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+ and two equivalent Ge4+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Ge4+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the eleventh O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent Ge4+ atoms.